ala3_solv.crd

* GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) VERSION ON JUL, 21. 2014.
* SOLVATE PROTEIN IN WATER BOX
*  DATE:     7/21/14     14:24:37      CREATED BY USER: charmm-gui
*
      2776  EXT
         1         1  ALA       N              -4.7646055673       -0.3618371390        0.0735617208  PROA      1               0.0000000000
         2         1  ALA       HT1            -4.7996634109       -1.3304972133       -0.3033581751  PROA      1               0.0000000000
         3         1  ALA       HT2            -5.5731390725        0.1814034937       -0.2908046087  PROA      1               0.0000000000
         4         1  ALA       HT3            -4.8078222136       -0.3922319184        1.1122186011  PROA      1               0.0000000000
         5         1  ALA       CA             -3.5299035243        0.2737327216       -0.3400828335  PROA      1               0.0000000000
         6         1  ALA       HA             -3.5153130377        0.2901499050       -1.4197257320  PROA      1               0.0000000000
         7         1  ALA       CB             -3.4299149019        1.6912739909        0.2128330961  PROA      1               0.0000000000
         8         1  ALA       HB1            -3.4570838329        1.6707514659        1.3233112251  PROA      1               0.0000000000
         9         1  ALA       HB2            -4.2844607014        2.3004911365       -0.1516666251  PROA      1               0.0000000000
        10         1  ALA       HB3            -2.4741320560        2.1565581385       -0.1100351654  PROA      1               0.0000000000
        11         1  ALA       C              -2.3198781403       -0.5058402066        0.1561445535  PROA      1               0.0000000000
        12         1  ALA       O              -2.4667938486       -1.5318232477        0.8163320831  PROA      1               0.0000000000
        13         2  ALA       N              -1.1205168372       -0.0143565302       -0.1647249846  PROA      2               0.0000000000
        14         2  ALA       HN             -1.0164952188        0.8194058366       -0.7011617799  PROA      2               0.0000000000
        15         2  ALA       CA              0.1075572364       -0.6635296852        0.2475968369  PROA      2               0.0000000000
        16         2  ALA       HA              0.1275879652       -0.6818718142        1.3271261763  PROA      2               0.0000000000
        17         2  ALA       CB              0.1907339895       -2.0826154992       -0.3050749284  PROA      2               0.0000000000
        18         2  ALA       HB1             0.1622782521       -2.0621630151       -1.4155221207  PROA      2               0.0000000000
        19         2  ALA       HB2            -0.6701616734       -2.6819840204        0.0608077496  PROA      2               0.0000000000
        20         2  ALA       HB3             1.1416232995       -2.5585935036        0.0166525342  PROA      2               0.0000000000
        21         2  ALA       C               1.3256456113        0.1019056125       -0.2494680644  PROA      2               0.0000000000
        22         2  ALA       O               1.1900743990        1.1293338846       -0.9094298754  PROA      2               0.0000000000
        23         3  ALA       N               2.5194189101       -0.4030900815        0.0703047616  PROA      3               0.0000000000
        24         3  ALA       HN              2.6146180001       -1.2379708512        0.6066461263  PROA      3               0.0000000000
        25         3  ALA       CA              3.7541209531        0.2324797791       -0.3433397927  PROA      3               0.0000000000
        26         3  ALA       HA              3.7729160383        0.2510226974       -1.4228874490  PROA      3               0.0000000000
        27         3  ALA       CB              3.8541095755        1.6500210484        0.2095761369  PROA      3               0.0000000000
        28         3  ALA       HB1             3.6471781201        1.6495579895        1.3011347283  PROA      3               0.0000000000
        29         3  ALA       HB2             3.1101236696        2.3049801779       -0.2921883608  PROA      3               0.0000000000
        30         3  ALA       HB3             4.8771659651        2.0497190103        0.0426891583  PROA      3               0.0000000000
        31         3  ALA       C               4.9646770700       -0.5463812144        0.1524277341  PROA      3               0.0000000000
        32         3  ALA       OT1             4.7603759704       -1.5918484721        0.8253759296  PROA      3               0.0000000000
        33         3  ALA       OT2             6.1096790112       -0.1061524764       -0.1352686560  PROA      3               0.0000000000
        34         4  TIP3      OH2            -5.2011894112       -6.6803279730       -5.5786224389  SOLV      1               0.0000000000
        35         4  TIP3      H1             -5.2394394112       -7.3266979730       -4.8736624389  SOLV      1               0.0000000000
        36         4  TIP3      H2             -5.5235394112       -7.1468879730       -6.3497524389  SOLV      1               0.0000000000
        37         5  TIP3      OH2            -1.4951694112       -3.7412879730       -7.2771124389  SOLV      2               0.0000000000
        38         5  TIP3      H1             -1.9358994112       -4.4616879730       -6.8265524389  SOLV      2               0.0000000000
        39         5  TIP3      H2             -1.5081994112       -3.0205679730       -6.6473424389  SOLV      2               0.0000000000
        40         6  TIP3      OH2           -11.9093794112       -2.6162279730       -5.4507224389  SOLV      3               0.0000000000
        41         6  TIP3      H1            -12.2788594112       -3.4181779730       -5.8202924389  SOLV      3               0.0000000000
        42         6  TIP3      H2            -10.9682694112       -2.7847379730       -5.4043824389  SOLV      3               0.0000000000
        43         7  TIP3      OH2           -14.5887194112       -6.7940079730       -7.9320424389  SOLV      4               0.0000000000
        44         7  TIP3      H1            -14.3753694112       -7.5638479730       -7.4047424389  SOLV      4               0.0000000000
        45         7  TIP3      H2            -13.8509594112       -6.7043379730       -8.5352824389  SOLV      4               0.0000000000
        46         8  TIP3      OH2            -4.3836194112        1.3628820270       -7.0650724389  SOLV      5               0.0000000000
        47         8  TIP3      H1             -3.7639794112        0.6863520270       -7.3381524389  SOLV      5               0.0000000000
        48         8  TIP3      H2             -4.5918794112        1.1449620270       -6.1565824389  SOLV      5               0.0000000000
        49         9  TIP3      OH2            -6.8117494112       -4.2481879730       -5.1725224389  SOLV      6               0.0000000000
        50         9  TIP3      H1             -6.5079594112       -4.9340479730       -5.7671124389  SOLV      6               0.0000000000
        51         9  TIP3      H2             -6.0903494112       -4.1293179730       -4.5547224389  SOLV      6               0.0000000000
        52        10  TIP3      OH2             1.8512305888      -12.6466579730       -4.3119024389  SOLV      7               0.0000000000
        53        10  TIP3      H1              1.9004505888      -12.0365379730       -3.5759924389  SOLV      7               0.0000000000
        54        10  TIP3      H2              2.2767405888      -12.1855679730       -5.0347924389  SOLV      7               0.0000000000
        55        11  TIP3      OH2            -3.6710494112       -9.8539479730       -4.8450424389  SOLV      8               0.0000000000
        56        11  TIP3      H1             -3.5284594112      -10.8002479730       -4.8248824389  SOLV      8               0.0000000000
        57        11  TIP3      H2             -3.7771494112       -9.6469679730       -5.7735524389  SOLV      8               0.0000000000
        58        12  TIP3      OH2           -10.5162194112      -11.7523079730       -7.5725624389  SOLV      9               0.0000000000
        59        12  TIP3      H1            -10.4731094112      -10.8924579730       -7.9909324389  SOLV      9               0.0000000000
        60        12  TIP3      H2            -10.9738094112      -12.3048379730       -8.2062424389  SOLV      9               0.0000000000
        61        13  TIP3      OH2            -2.7939494112      -11.6217479730       -9.1717324389  SOLV      10              0.0000000000
        62        13  TIP3      H1             -2.1475194112      -11.9504279730       -8.5469724389  SOLV      10              0.0000000000
        63        13  TIP3      H2             -2.2840094112      -11.1038479730       -9.7945924389  SOLV      10              0.0000000000
        64        14  TIP3      OH2           -13.8960694112       -9.3557279730       -6.8104224389  SOLV      11              0.0000000000
        65        14  TIP3      H1            -13.2424094112       -9.9055579730       -6.3784124389  SOLV      11              0.0000000000
        66        14  TIP3      H2            -13.8721394112       -9.6298279730       -7.7272224389  SOLV      11              0.0000000000
        67        15  TIP3      OH2            -8.7396194112       -7.8055979730       -7.5952724389  SOLV      12              0.0000000000
        68        15  TIP3      H1             -8.1235194112       -8.3320579730       -7.0858724389  SOLV      12              0.0000000000
        69        15  TIP3      H2             -9.3257394112       -8.4457279730       -7.9989124389  SOLV      12              0.0000000000
        70        16  TIP3      OH2             2.2426905888      -11.1687379730       -2.0759224389  SOLV      13              0.0000000000
        71        16  TIP3      H1              1.5541505888      -10.5106679730       -2.1712624389  SOLV      13              0.0000000000
        72        16  TIP3      H2              2.2581505888      -11.3659479730       -1.1393824389  SOLV      13              0.0000000000
        73        17  TIP3      OH2           -11.7060294112      -12.8344679730       -3.4984824389  SOLV      14              0.0000000000
        74        17  TIP3      H1            -11.9248594112      -12.3044079730       -4.2648824389  SOLV      14              0.0000000000
        75        17  TIP3      H2            -12.3739394112      -12.6079179730       -2.8513424389  SOLV      14              0.0000000000
        76        18  TIP3      OH2            -4.3370494112       -3.3343579730       -9.9545724389  SOLV      15              0.0000000000
        77        18  TIP3      H1             -4.6325394112       -3.6571279730      -10.8058824389  SOLV      15              0.0000000000
        78        18  TIP3      H2             -4.6612694112       -2.4346879730       -9.9133124389  SOLV      15              0.0000000000
        79        19  TIP3      OH2            -9.1368894112       -5.1588979730       -3.2111124389  SOLV      16              0.0000000000
        80        19  TIP3      H1             -9.8769794112       -4.5607479730       -3.1075924389  SOLV      16              0.0000000000
        81        19  TIP3      H2             -8.4229394112       -4.6049379730       -3.5267524389  SOLV      16              0.0000000000
        82        20  TIP3      OH2            -1.0301094112      -12.3308179730       -7.1911424389  SOLV      17              0.0000000000
        83        20  TIP3      H1             -1.2453094112      -13.0964779730       -6.6585424389  SOLV      17              0.0000000000
        84        20  TIP3      H2             -0.3743694112      -11.8583579730       -6.6782924389  SOLV      17              0.0000000000
        85        21  TIP3      OH2           -12.1122994112      -10.9422879730       -5.5462624389  SOLV      18              0.0000000000
        86        21  TIP3      H1            -11.4986694112      -10.3095279730       -5.1730224389  SOLV      18              0.0000000000
        87        21  TIP3      H2            -11.6002294112      -11.4147879730       -6.2025724389  SOLV      18              0.0000000000
        88        22  TIP3      OH2           -10.7294594112       -3.1945979730       -2.4239624389  SOLV      19              0.0000000000
        89        22  TIP3      H1            -10.7346994112       -2.3152479730       -2.8020324389  SOLV      19              0.0000000000
        90        22  TIP3      H2            -11.5830494112       -3.2781879730       -1.9989724389  SOLV      19              0.0000000000
        91        23  TIP3      OH2           -14.6083694112       -3.5238079730      -11.6420324389  SOLV      20              0.0000000000
        92        23  TIP3      H1            -14.8802794112       -3.2947079730      -12.5307424389  SOLV      20              0.0000000000
        93        23  TIP3      H2            -14.5627994112       -2.6859279730      -11.1815024389  SOLV      20              0.0000000000
        94        24  TIP3      OH2            -0.9833994112       -1.9022179730       -4.9291824389  SOLV      21              0.0000000000
        95        24  TIP3      H1             -1.9250294112       -1.8438279730       -4.7674924389  SOLV      21              0.0000000000
        96        24  TIP3      H2             -0.7067894112       -0.9961679730       -5.0662124389  SOLV      21              0.0000000000
        97        25  TIP3      OH2            -0.6826994112      -13.6156879730       -3.5117924389  SOLV      22              0.0000000000
        98        25  TIP3      H1             -1.4187794112      -13.0049779730       -3.5496624389  SOLV      22              0.0000000000
        99        25  TIP3      H2              0.0007005888      -13.2007879730       -4.0381524389  SOLV      22              0.0000000000
       100        26  TIP3      OH2            -7.6795594112      -15.5289579730       -6.0459924389  SOLV      23              0.0000000000
       101        26  TIP3      H1             -7.7971394112      -16.4773579730       -6.1001624389  SOLV      23              0.0000000000
       102        26  TIP3      H2             -8.5345494112      -15.1963479730       -5.7728824389  SOLV      23              0.0000000000
       103        27  TIP3      OH2            -2.7312794112       -0.1208679730       -8.3040224389  SOLV      24              0.0000000000
       104        27  TIP3      H1             -2.3060494112       -0.8280779730       -8.7890624389  SOLV      24              0.0000000000
       105        27  TIP3      H2             -2.4142794112        0.6804020270       -8.7208024389  SOLV      24              0.0000000000
       106        28  TIP3      OH2            -1.5716294112       -2.2200179730       -9.7953624389  SOLV      25              0.0000000000
       107        28  TIP3      H1             -1.8291494112       -2.9100079730      -10.4067724389  SOLV      25              0.0000000000
       108        28  TIP3      H2             -1.5005494112       -2.6628979730       -8.9497724389  SOLV      25              0.0000000000
       109        29  TIP3      OH2            -5.4130694112       -6.6913979730      -11.5454124389  SOLV      26              0.0000000000
       110        29  TIP3      H1             -6.1245194112       -6.1564279730      -11.8973624389  SOLV      26              0.0000000000
       111        29  TIP3      H2             -4.7221094112       -6.6361879730      -12.2055224389  SOLV      26              0.0000000000
       112        30  TIP3      OH2            -5.3591494112       -8.2339679730      -14.5069124389  SOLV      27              0.0000000000
       113        30  TIP3      H1             -4.6581594112       -8.2112779730      -13.8555124389  SOLV      27              0.0000000000
       114        30  TIP3      H2             -5.0568594112       -8.8619979730      -15.1629824389  SOLV      27              0.0000000000
       115        31  TIP3      OH2             1.9563205888       -7.3135479730       -3.2519724389  SOLV      28              0.0000000000
       116        31  TIP3      H1              1.3037305888       -6.6189879730       -3.1628824389  SOLV      28              0.0000000000
       117        31  TIP3      H2              2.4213505888       -7.1034579730       -4.0618124389  SOLV      28              0.0000000000
       118        32  TIP3      OH2            -2.1099494112       -8.3078079730       -1.5261224389  SOLV      29              0.0000000000
       119        32  TIP3      H1             -2.0300394112       -7.5443679730       -0.9542724389  SOLV      29              0.0000000000
       120        32  TIP3      H2             -2.7111794112       -8.0285679730       -2.2166124389  SOLV      29              0.0000000000
       121        33  TIP3      OH2           -10.3619294112       -5.8514479730       -8.7113224389  SOLV      30              0.0000000000
       122        33  TIP3      H1            -10.6924094112       -6.2221079730       -9.5296224389  SOLV      30              0.0000000000
       123        33  TIP3      H2             -9.7735194112       -6.5220479730       -8.3644924389  SOLV      30              0.0000000000
       124        34  TIP3      OH2            -8.9951794112       -2.4233879730       -6.0301024389  SOLV      31              0.0000000000
       125        34  TIP3      H1             -9.0900494112       -3.0020779730       -6.7866424389  SOLV      31              0.0000000000
       126        34  TIP3      H2             -8.2658194112       -2.7948179730       -5.5338224389  SOLV      31              0.0000000000
       127        35  TIP3      OH2            -9.9953794112       -7.0828879730       -5.0778224389  SOLV      32              0.0000000000
       128        35  TIP3      H1             -9.4301294112       -6.9614679730       -5.8407024389  SOLV      32              0.0000000000
       129        35  TIP3      H2             -9.6764894112       -6.4453879730       -4.4389724389  SOLV      32              0.0000000000
       130        36  TIP3      OH2            -3.6861594112       -1.5796979730       -4.3437724389  SOLV      33              0.0000000000
       131        36  TIP3      H1             -3.9264994112       -0.9173879730       -3.6958524389  SOLV      33              0.0000000000
       132        36  TIP3      H2             -3.8843394112       -2.4141779730       -3.9188124389  SOLV      33              0.0000000000
       133        37  TIP3      OH2            -9.1153094112       -2.6836179730       -0.3606324389  SOLV      34              0.0000000000
       134        37  TIP3      H1             -9.4265594112       -1.9012979730        0.0946875611  SOLV      34              0.0000000000
       135        37  TIP3      H2             -9.7652894112       -2.8367079730       -1.0464324389  SOLV      34              0.0000000000
       136        38  TIP3      OH2            -3.1363494112       -7.3197779730      -12.9087024389  SOLV      35              0.0000000000
       137        38  TIP3      H1             -2.5567994112       -7.1697479730      -12.1618124389  SOLV      35              0.0000000000
       138        38  TIP3      H2             -2.7223494112       -6.8490379730      -13.6320624389  SOLV      35              0.0000000000
       139        39  TIP3      OH2           -12.1953194112       -6.4855079730       -1.1320624389  SOLV      36              0.0000000000
       140        39  TIP3      H1            -12.1249994112       -5.8348279730       -0.4335624389  SOLV      36              0.0000000000
       141        39  TIP3      H2            -13.0860994112       -6.3827579730       -1.4669724389  SOLV      36              0.0000000000
       142        40  TIP3      OH2            -5.4098594112       -0.5829279730       -9.4733924389  SOLV      37              0.0000000000
       143        40  TIP3      H1             -4.9360994112       -0.2872979730       -8.6959724389  SOLV      37              0.0000000000
       144        40  TIP3      H2             -5.9729294112        0.1552320270       -9.7064324389  SOLV      37              0.0000000000
       145        41  TIP3      OH2           -10.8757194112       -0.6121179730        0.4027475611  SOLV      38              0.0000000000
       146        41  TIP3      H1            -10.8681894112       -0.7481479730       -0.5447024389  SOLV      38              0.0000000000
       147        41  TIP3      H2            -11.7916794112       -0.7293079730        0.6547475611  SOLV      38              0.0000000000
       148        42  TIP3      OH2             0.5624905888      -15.5697379730      -13.0957324389  SOLV      39              0.0000000000
       149        42  TIP3      H1             -0.3374394112      -15.4308379730      -12.8006724389  SOLV      39              0.0000000000
       150        42  TIP3      H2              0.8143305888      -14.7382779730      -13.4975624389  SOLV      39              0.0000000000
       151        43  TIP3      OH2           -11.3716594112       -6.7820179730      -11.1220424389  SOLV      40              0.0000000000
       152        43  TIP3      H1            -11.6635294112       -6.0138479730      -11.6129124389  SOLV      40              0.0000000000
       153        43  TIP3      H2            -12.0461394112       -7.4413979730      -11.2849024389  SOLV      40              0.0000000000
       154        44  TIP3      OH2           -15.2786494112       -4.4190979730       -2.3070624389  SOLV      41              0.0000000000
       155        44  TIP3      H1            -15.7798094112       -4.4471579730       -3.1220924389  SOLV      41              0.0000000000
       156        44  TIP3      H2            -15.2732794112       -5.3247779730       -1.9973324389  SOLV      41              0.0000000000
       157        45  TIP3      OH2           -15.5283794112       -1.6387179730       -5.4230424389  SOLV      42              0.0000000000
       158        45  TIP3      H1            -14.5823194112       -1.7830179730       -5.4420924389  SOLV      42              0.0000000000
       159        45  TIP3      H2            -15.6407494112       -0.8544379730       -4.8859224389  SOLV      42              0.0000000000
       160        46  TIP3      OH2            -5.9375494112        2.3735420270      -11.0584724389  SOLV      43              0.0000000000
       161        46  TIP3      H1             -6.0129494112        2.2522620270      -12.0049524389  SOLV      43              0.0000000000
       162        46  TIP3      H2             -5.9046794112        3.3228120270      -10.9400124389  SOLV      43              0.0000000000
       163        47  TIP3      OH2           -12.2841694112        1.1622420270       -9.2775724389  SOLV      44              0.0000000000
       164        47  TIP3      H1            -12.1321294112        0.8142820270       -8.3989224389  SOLV      44              0.0000000000
       165        47  TIP3      H2            -13.1351294112        0.8059720270       -9.5328524389  SOLV      44              0.0000000000
       166        48  TIP3      OH2            -2.8359494112        1.5275620270      -14.0562324389  SOLV      45              0.0000000000
       167        48  TIP3      H1             -2.4611094112        0.7831720270      -14.5269724389  SOLV      45              0.0000000000
       168        48  TIP3      H2             -2.8315794112        1.2576220270      -13.1379024389  SOLV      45              0.0000000000
       169        49  TIP3      OH2            -3.1671394112        1.4532720270      -11.3070124389  SOLV      46              0.0000000000
       170        49  TIP3      H1             -4.1021594112        1.5534620270      -11.1283124389  SOLV      46              0.0000000000
       171        49  TIP3      H2             -2.8869494112        0.7438720270      -10.7286924389  SOLV      46              0.0000000000
       172        50  TIP3      OH2            -0.1785494112       -9.4794979730        0.7395475611  SOLV      47              0.0000000000
       173        50  TIP3      H1             -0.5858694112       -8.9989379730        0.0188775611  SOLV      47              0.0000000000
       174        50  TIP3      H2             -0.1379794112      -10.3848979730        0.4316275611  SOLV      47              0.0000000000
       175        51  TIP3      OH2           -13.0295994112       -3.0955579730       -1.2637824389  SOLV      48              0.0000000000
       176        51  TIP3      H1            -12.8134694112       -3.4569979730       -0.4042024389  SOLV      48              0.0000000000
       177        51  TIP3      H2            -13.8851294112       -3.4701779730       -1.4734324389  SOLV      48              0.0000000000
       178        52  TIP3      OH2           -10.4107994112      -14.6255079730       -5.2683624389  SOLV      49              0.0000000000
       179        52  TIP3      H1            -11.2724294112      -14.7126879730       -5.6760724389  SOLV      49              0.0000000000
       180        52  TIP3      H2            -10.4332294112      -13.7694979730       -4.8406024389  SOLV      49              0.0000000000
       181        53  TIP3      OH2            -5.7480194112      -14.9034679730       -1.8936624389  SOLV      50              0.0000000000
       182        53  TIP3      H1             -5.3277094112      -15.3187579730       -1.1406024389  SOLV      50              0.0000000000
       183        53  TIP3      H2             -6.6810594112      -15.0821379730       -1.7764624389  SOLV      50              0.0000000000
       184        54  TIP3      OH2            -2.4215294112      -11.1479479730       -1.0402124389  SOLV      51              0.0000000000
       185        54  TIP3      H1             -2.9355794112      -11.2737279730       -0.2426124389  SOLV      51              0.0000000000
       186        54  TIP3      H2             -2.5770594112      -10.2356379730       -1.2845924389  SOLV      51              0.0000000000
       187        55  TIP3      OH2            -1.6590394112       -6.2869479730      -15.2789124389  SOLV      52              0.0000000000
       188        55  TIP3      H1             -1.6169594112       -6.5095579730      -16.2089124389  SOLV      52              0.0000000000
       189        55  TIP3      H2             -0.8098294112       -5.8882379730      -15.0889224389  SOLV      52              0.0000000000
       190        56  TIP3      OH2            -6.0862894112      -12.4111279730      -14.6085824389  SOLV      53              0.0000000000
       191        56  TIP3      H1             -6.3398094112      -12.3919679730      -13.6857724389  SOLV      53              0.0000000000
       192        56  TIP3      H2             -6.3430794112      -13.2825879730      -14.9099624389  SOLV      53              0.0000000000
       193        57  TIP3      OH2           -10.3197894112       -9.6600579730       -4.1733424389  SOLV      54              0.0000000000
       194        57  TIP3      H1            -10.9615794112       -9.7003279730       -3.4643324389  SOLV      54              0.0000000000
       195        57  TIP3      H2            -10.2825894112       -8.7335879730       -4.4110424389  SOLV      54              0.0000000000
       196        58  TIP3      OH2            -4.7873294112       -9.0230179730      -10.4442624389  SOLV      55              0.0000000000
       197        58  TIP3      H1             -5.1962994112       -8.2081579730      -10.7357824389  SOLV      55              0.0000000000
       198        58  TIP3      H2             -4.0667094112       -9.1630079730      -11.0585524389  SOLV      55              0.0000000000
       199        59  TIP3      OH2            -3.7825594112       -9.5769779730       -7.6302924389  SOLV      56              0.0000000000
       200        59  TIP3      H1             -3.9781094112       -8.9712979730       -8.3452324389  SOLV      56              0.0000000000
       201        59  TIP3      H2             -3.6012994112      -10.4104579730       -8.0646624389  SOLV      56              0.0000000000
       202        60  TIP3      OH2           -12.5697394112       -9.3397079730       -2.3061424389  SOLV      57              0.0000000000
       203        60  TIP3      H1            -12.6077994112       -8.9395479730       -1.4374324389  SOLV      57              0.0000000000
       204        60  TIP3      H2            -13.0606294112      -10.1564679730       -2.2158524389  SOLV      57              0.0000000000
       205        61  TIP3      OH2           -15.9616594112      -12.2235279730       -8.4556724389  SOLV      58              0.0000000000
       206        61  TIP3      H1            -15.3308894112      -12.2523179730       -7.7362824389  SOLV      58              0.0000000000
       207        61  TIP3      H2            -15.5122294112      -12.6486579730       -9.1860824389  SOLV      58              0.0000000000
       208        62  TIP3      OH2           -14.6874494112      -11.4773279730      -13.0316324389  SOLV      59              0.0000000000
       209        62  TIP3      H1            -14.2132794112      -10.8863379730      -13.6165424389  SOLV      59              0.0000000000
       210        62  TIP3      H2            -15.4048094112      -10.9470379730      -12.6846224389  SOLV      59              0.0000000000
       211        63  TIP3      OH2            -4.5186394112       -7.9388479730       -2.9590524389  SOLV      60              0.0000000000
       212        63  TIP3      H1             -4.1951594112       -8.5698779730       -3.6020024389  SOLV      60              0.0000000000
       213        63  TIP3      H2             -4.9587094112       -8.4736279730       -2.2983124389  SOLV      60              0.0000000000
       214        64  TIP3      OH2            -7.7413494112      -12.0112979730       -8.1749324389  SOLV      61              0.0000000000
       215        64  TIP3      H1             -8.6522394112      -11.9546179730       -7.8863324389  SOLV      61              0.0000000000
       216        64  TIP3      H2             -7.2360594112      -12.0717479730       -7.3642124389  SOLV      61              0.0000000000
       217        65  TIP3      OH2            -3.3361594112      -12.7766679730       -4.9107524389  SOLV      62              0.0000000000
       218        65  TIP3      H1             -4.0129994112      -12.6453579730       -4.2467824389  SOLV      62              0.0000000000
       219        65  TIP3      H2             -3.8216694112      -12.9317179730       -5.7209824389  SOLV      62              0.0000000000
       220        66  TIP3      OH2            -0.0486494112        2.8948720270        1.3660075611  SOLV      63              0.0000000000
       221        66  TIP3      H1              0.1512205888        3.3190620270        0.5315375611  SOLV      63              0.0000000000
       222        66  TIP3      H2              0.6067205888        3.2386920270        1.9730475611  SOLV      63              0.0000000000
       223        67  TIP3      OH2           -12.4506694112       -4.6309979730        0.9740575611  SOLV      64              0.0000000000
       224        67  TIP3      H1            -11.7184294112       -4.3764079730        1.5355075611  SOLV      64              0.0000000000
       225        67  TIP3      H2            -13.2307994112       -4.4264579730        1.4895975611  SOLV      64              0.0000000000
       226        68  TIP3      OH2            -6.4213794112       -9.2239979730       -6.2879724389  SOLV      65              0.0000000000
       227        68  TIP3      H1             -5.8570394112       -9.7703379730       -6.8350124389  SOLV      65              0.0000000000
       228        68  TIP3      H2             -6.5690394112       -9.7458079730       -5.4992124389  SOLV      65              0.0000000000
       229        69  TIP3      OH2           -11.4194094112      -13.0873879730       -9.8694924389  SOLV      66              0.0000000000
       230        69  TIP3      H1            -11.7364594112      -13.9898579730       -9.9049524389  SOLV      66              0.0000000000
       231        69  TIP3      H2            -10.6379994112      -13.0856479730      -10.4223324389  SOLV      66              0.0000000000
       232        70  TIP3      OH2            -7.7947894112      -10.8353879730       -3.8739324389  SOLV      67              0.0000000000
       233        70  TIP3      H1             -8.6302594112      -10.3814379730       -3.7636924389  SOLV      67              0.0000000000
       234        70  TIP3      H2             -7.2707294112      -10.5595379730       -3.1219424389  SOLV      67              0.0000000000
       235        71  TIP3      OH2            -7.2505294112       -4.6226179730      -12.1892924389  SOLV      68              0.0000000000
       236        71  TIP3      H1             -7.9954294112       -5.1300879730      -12.5115024389  SOLV      68              0.0000000000
       237        71  TIP3      H2             -7.3848094112       -4.5738179730      -11.2428124389  SOLV      68              0.0000000000
       238        72  TIP3      OH2            -0.1006394112       -5.4897979730       -3.4025324389  SOLV      69              0.0000000000
       239        72  TIP3      H1              0.5412405888       -5.0331679730       -3.9463124389  SOLV      69              0.0000000000
       240        72  TIP3      H2             -0.9309494112       -5.3765579730       -3.8651224389  SOLV      69              0.0000000000
       241        73  TIP3      OH2            -3.3528494112      -11.8086279730      -13.9900324389  SOLV      70              0.0000000000
       242        73  TIP3      H1             -4.2914294112      -11.6970679730      -14.1411524389  SOLV      70              0.0000000000
       243        73  TIP3      H2             -3.0556394112      -10.9519379730      -13.6834624389  SOLV      70              0.0000000000
       244        74  TIP3      OH2            -5.7313194112       -4.4382879730       -0.9523824389  SOLV      71              0.0000000000
       245        74  TIP3      H1             -6.0767094112       -4.8200479730       -0.1454224389  SOLV      71              0.0000000000
       246        74  TIP3      H2             -5.9313094112       -3.5049279730       -0.8810924389  SOLV      71              0.0000000000
       247        75  TIP3      OH2            -2.6344994112       -9.9413579730      -12.3292924389  SOLV      72              0.0000000000
       248        75  TIP3      H1             -1.7425994112      -10.0788579730      -12.0101724389  SOLV      72              0.0000000000
       249        75  TIP3      H2             -2.5781394112       -9.1507479730      -12.8659424389  SOLV      72              0.0000000000
       250        76  TIP3      OH2           -12.1256994112       -5.3276179730       -6.4195024389  SOLV      73              0.0000000000
       251        76  TIP3      H1            -11.3809794112       -5.3300479730       -7.0208524389  SOLV      73              0.0000000000
       252        76  TIP3      H2            -12.0480394112       -6.1512379730       -5.9379924389  SOLV      73              0.0000000000
       253        77  TIP3      OH2            -5.1251194112       -3.1641879730      -13.1638324389  SOLV      74              0.0000000000
       254        77  TIP3      H1             -5.4202794112       -2.3373979730      -12.7823524389  SOLV      74              0.0000000000
       255        77  TIP3      H2             -5.8281194112       -3.7834979730      -12.9676924389  SOLV      74              0.0000000000
       256        78  TIP3      OH2            -8.1012394112       -7.3499379730        1.1083175611  SOLV      75              0.0000000000
       257        78  TIP3      H1             -8.3971594112       -7.5156379730        0.2132275611  SOLV      75              0.0000000000
       258        78  TIP3      H2             -7.1697194112       -7.5699079730        1.0977075611  SOLV      75              0.0000000000
       259        79  TIP3      OH2             2.2503705888       -9.7319479730      -12.6346224389  SOLV      76              0.0000000000
       260        79  TIP3      H1              1.6960005888      -10.1281479730      -13.3068724389  SOLV      76              0.0000000000
       261        79  TIP3      H2              2.3507305888       -8.8214279730      -12.9122924389  SOLV      76              0.0000000000
       262        80  TIP3      OH2             0.5455405888       -0.9459079730      -12.1694124389  SOLV      77              0.0000000000
       263        80  TIP3      H1              0.1726505888       -1.7715279730      -11.8603524389  SOLV      77              0.0000000000
       264        80  TIP3      H2              0.8228905888       -1.1289679730      -13.0670724389  SOLV      77              0.0000000000
       265        81  TIP3      OH2            -2.2940694112       -6.1379579730       -5.1482224389  SOLV      78              0.0000000000
       266        81  TIP3      H1             -3.2223794112       -6.3697679730       -5.1752924389  SOLV      78              0.0000000000
       267        81  TIP3      H2             -1.8429594112       -6.9149779730       -5.4783424389  SOLV      78              0.0000000000
       268        82  TIP3      OH2            -9.7507594112       -1.8097979730       -9.0153524389  SOLV      79              0.0000000000
       269        82  TIP3      H1             -9.2235394112       -1.0363579730       -9.2154724389  SOLV      79              0.0000000000
       270        82  TIP3      H2            -10.6309094112       -1.5848779730       -9.3169524389  SOLV      79              0.0000000000
       271        83  TIP3      OH2           -13.9959894112       -6.9473879730      -14.4281124389  SOLV      80              0.0000000000
       272        83  TIP3      H1            -13.3799994112       -6.3206679730      -14.0486324389  SOLV      80              0.0000000000
       273        83  TIP3      H2            -14.8577294112       -6.6314079730      -14.1564624389  SOLV      80              0.0000000000
       274        84  TIP3      OH2            -8.3235294112       -4.1468079730       -9.4389224389  SOLV      81              0.0000000000
       275        84  TIP3      H1             -8.5645294112       -3.2213679730       -9.3973924389  SOLV      81              0.0000000000
       276        84  TIP3      H2             -9.0641694112       -4.6056779730       -9.0425324389  SOLV      81              0.0000000000
       277        85  TIP3      OH2            -7.8088694112        0.0025520270       -3.1238124389  SOLV      82              0.0000000000
       278        85  TIP3      H1             -7.4463994112        0.8571120270       -3.3573724389  SOLV      82              0.0000000000
       279        85  TIP3      H2             -7.2773494112       -0.2892879730       -2.3831824389  SOLV      82              0.0000000000
       280        86  TIP3      OH2            -9.6404494112        0.8749520270       -9.8937024389  SOLV      83              0.0000000000
       281        86  TIP3      H1            -10.5903994112        0.9806920270       -9.8423724389  SOLV      83              0.0000000000
       282        86  TIP3      H2             -9.2886394112        1.6956920270       -9.5489524389  SOLV      83              0.0000000000
       283        87  TIP3      OH2            -4.2647894112       -3.8983779730       -3.4232524389  SOLV      84              0.0000000000
       284        87  TIP3      H1             -4.6906594112       -4.1262079730       -2.5968524389  SOLV      84              0.0000000000
       285        87  TIP3      H2             -3.6842094112       -4.6371979730       -3.6057224389  SOLV      84              0.0000000000
       286        88  TIP3      OH2            -2.0618994112       -2.9693279730      -14.3493524389  SOLV      85              0.0000000000
       287        88  TIP3      H1             -1.7085894112       -3.3493479730      -13.5450024389  SOLV      85              0.0000000000
       288        88  TIP3      H2             -3.0105494112       -3.0628479730      -14.2624224389  SOLV      85              0.0000000000
       289        89  TIP3      OH2             2.4415405888        1.5099220270      -14.1483324389  SOLV      86              0.0000000000
       290        89  TIP3      H1              3.1853305888        2.0959720270      -14.2881724389  SOLV      86              0.0000000000
       291        89  TIP3      H2              1.7473505888        2.0785020270      -13.8150924389  SOLV      86              0.0000000000
       292        90  TIP3      OH2           -13.4837794112      -12.1136579730       -1.5465124389  SOLV      87              0.0000000000
       293        90  TIP3      H1            -14.3765494112      -11.7751179730       -1.6141124389  SOLV      87              0.0000000000
       294        90  TIP3      H2            -13.5824994112      -12.9690479730       -1.1284324389  SOLV      87              0.0000000000
       295        91  TIP3      OH2            -1.1959694112       -4.2971279730      -12.1225624389  SOLV      88              0.0000000000
       296        91  TIP3      H1             -1.4732094112       -5.0251979730      -11.5664524389  SOLV      88              0.0000000000
       297        91  TIP3      H2             -0.2686694112       -4.1779279730      -11.9173024389  SOLV      88              0.0000000000
       298        92  TIP3      OH2           -13.8325794112       -0.3092179730       -3.1115724389  SOLV      89              0.0000000000
       299        92  TIP3      H1            -13.6155494112       -1.2409779730       -3.1426024389  SOLV      89              0.0000000000
       300        92  TIP3      H2            -13.5862294112       -0.0347179730       -2.2282924389  SOLV      89              0.0000000000
       301        93  TIP3      OH2            -7.9711194112       -1.8577179730      -15.9023524389  SOLV      90              0.0000000000
       302        93  TIP3      H1             -7.7321394112       -2.6059079730      -16.4494624389  SOLV      90              0.0000000000
       303        93  TIP3      H2             -8.2399894112       -2.2455479730      -15.0695724389  SOLV      90              0.0000000000
       304        94  TIP3      OH2            -9.0340594112       -2.2873379730      -13.4460924389  SOLV      91              0.0000000000
       305        94  TIP3      H1             -8.8872594112       -2.8073579730      -12.6560024389  SOLV      91              0.0000000000
       306        94  TIP3      H2             -9.0368894112       -1.3805779730      -13.1395024389  SOLV      91              0.0000000000
       307        95  TIP3      OH2           -12.5809494112       -5.0350079730      -12.9355524389  SOLV      92              0.0000000000
       308        95  TIP3      H1            -13.2670194112       -4.6827579730      -12.3685824389  SOLV      92              0.0000000000
       309        95  TIP3      H2            -12.0581594112       -4.2720479730      -13.1821224389  SOLV      92              0.0000000000
       310        96  TIP3      OH2            -4.7494394112      -12.3726279730       -2.6566524389  SOLV      93              0.0000000000
       311        96  TIP3      H1             -4.0506494112      -12.2987579730       -2.0066824389  SOLV      93              0.0000000000
       312        96  TIP3      H2             -5.1302994112      -13.2371279730       -2.5023624389  SOLV      93              0.0000000000
       313        97  TIP3      OH2            -3.9649494112      -12.7204579730      -11.5594224389  SOLV      94              0.0000000000
       314        97  TIP3      H1             -3.7451194112      -12.2489179730      -12.3628824389  SOLV      94              0.0000000000
       315        97  TIP3      H2             -3.4065494112      -12.3261979730      -10.8893624389  SOLV      94              0.0000000000
       316        98  TIP3      OH2            -6.2963394112       -0.5899779730      -12.6966724389  SOLV      95              0.0000000000
       317        98  TIP3      H1             -7.1127294112       -0.0930079730      -12.6442424389  SOLV      95              0.0000000000
       318        98  TIP3      H2             -5.7667094112       -0.1146279730      -13.3367924389  SOLV      95              0.0000000000
       319        99  TIP3      OH2            -5.8812894112      -13.9112779730       -9.7864724389  SOLV      96              0.0000000000
       320        99  TIP3      H1             -6.2279394112      -13.2942179730       -9.1420424389  SOLV      96              0.0000000000
       321        99  TIP3      H2             -5.2225994112      -13.4107079730      -10.2679224389  SOLV      96              0.0000000000
       322       100  TIP3      OH2            -8.9580294112        0.4537420270      -12.7149824389  SOLV      97              0.0000000000
       323       100  TIP3      H1             -8.7971594112        1.2534920270      -13.2157224389  SOLV      97              0.0000000000
       324       100  TIP3      H2             -9.1552494112        0.7603420270      -11.8299224389  SOLV      97              0.0000000000
       325       101  TIP3      OH2           -10.2235894112      -12.8483379730      -13.0992224389  SOLV      98              0.0000000000
       326       101  TIP3      H1            -10.3071094112      -11.9600279730      -12.7525824389  SOLV      98              0.0000000000
       327       101  TIP3      H2             -9.3335594112      -13.1136679730      -12.8675424389  SOLV      98              0.0000000000
       328       102  TIP3      OH2            -1.4226394112       -8.3491779730       -6.6092224389  SOLV      99              0.0000000000
       329       102  TIP3      H1             -2.2201994112       -8.7641579730       -6.9377224389  SOLV      99              0.0000000000
       330       102  TIP3      H2             -0.9775294112       -9.0398079730       -6.1181724389  SOLV      99              0.0000000000
       331       103  TIP3      OH2           -11.9650594112       -2.4211179730      -14.0387724389  SOLV      100             0.0000000000
       332       103  TIP3      H1            -11.3729094112       -1.7216379730      -13.7625324389  SOLV      100             0.0000000000
       333       103  TIP3      H2            -11.5057594112       -2.8541679730      -14.7583124389  SOLV      100             0.0000000000
       334       104  TIP3      OH2           -13.6491394112       -9.7568179730      -14.9228324389  SOLV      101             0.0000000000
       335       104  TIP3      H1            -13.6938794112       -8.8175079730      -14.7441324389  SOLV      101             0.0000000000
       336       104  TIP3      H2            -14.5368194112       -9.9923279730      -15.1926224389  SOLV      101             0.0000000000
       337       105  TIP3      OH2            -0.3361794112        0.9070720270       -4.9868724389  SOLV      102             0.0000000000
       338       105  TIP3      H1             -0.4917494112        1.5855120270       -5.6439424389  SOLV      102             0.0000000000
       339       105  TIP3      H2              0.5964605888        0.9790020270       -4.7838124389  SOLV      102             0.0000000000
       340       106  TIP3      OH2           -12.8409394112      -14.9751579730       -6.2497324389  SOLV      103             0.0000000000
       341       106  TIP3      H1            -13.0699594112      -14.9159079730       -7.1772324389  SOLV      103             0.0000000000
       342       106  TIP3      H2            -13.2835994112      -15.7666079730       -5.9433224389  SOLV      103             0.0000000000
       343       107  TIP3      OH2           -14.6222394112        1.5779220270        1.2406475611  SOLV      104             0.0000000000
       344       107  TIP3      H1            -14.0820194112        1.3613220270        2.0005675611  SOLV      104             0.0000000000
       345       107  TIP3      H2            -15.1034394112        0.7725220270        1.0508975611  SOLV      104             0.0000000000
       346       108  TIP3      OH2           -10.0248994112        0.4973620270        2.8610675611  SOLV      105             0.0000000000
       347       108  TIP3      H1             -9.2571794112        0.0384420270        3.2019875611  SOLV      105             0.0000000000
       348       108  TIP3      H2            -10.0462794112        0.2713420270        1.9311875611  SOLV      105             0.0000000000
       349       109  TIP3      OH2            -5.9329394112        0.0054220270      -15.7637524389  SOLV      106             0.0000000000
       350       109  TIP3      H1             -6.5768394112       -0.6257179730      -15.4423824389  SOLV      106             0.0000000000
       351       109  TIP3      H2             -5.1711094112       -0.5257779730      -15.9954024389  SOLV      106             0.0000000000
       352       110  TIP3      OH2           -14.7152894112       -4.6116679730        2.1950775611  SOLV      107             0.0000000000
       353       110  TIP3      H1            -14.5712394112       -5.5135979730        1.9087475611  SOLV      107             0.0000000000
       354       110  TIP3      H2            -15.4875494112       -4.3254579730        1.7073075611  SOLV      107             0.0000000000
       355       111  TIP3      OH2           -10.3739194112       -4.2680979730      -15.6724624389  SOLV      108             0.0000000000
       356       111  TIP3      H1            -10.3095094112       -5.0621379730      -15.1418224389  SOLV      108             0.0000000000
       357       111  TIP3      H2             -9.7209994112       -4.3868179730      -16.3622624389  SOLV      108             0.0000000000
       358       112  TIP3      OH2            -5.0215794112       -3.2209279730      -15.9366624389  SOLV      109             0.0000000000
       359       112  TIP3      H1             -5.2901694112       -3.0407179730      -15.0357724389  SOLV      109             0.0000000000
       360       112  TIP3      H2             -5.2280194112       -4.1463079730      -16.0680824389  SOLV      109             0.0000000000
       361       113  TIP3      OH2            -2.3251594112       -4.7261279730       -0.9890524389  SOLV      110             0.0000000000
       362       113  TIP3      H1             -1.5796794112       -4.1377579730       -1.1086524389  SOLV      110             0.0000000000
       363       113  TIP3      H2             -3.0824794112       -4.1441579730       -0.9257424389  SOLV      110             0.0000000000
       364       114  TIP3      OH2           -13.8826394112       -7.4113379730        1.6150075611  SOLV      111             0.0000000000
       365       114  TIP3      H1            -13.4745194112       -8.2686779730        1.4940675611  SOLV      111             0.0000000000
       366       114  TIP3      H2            -14.1428794112       -7.3972079730        2.5360375611  SOLV      111             0.0000000000
       367       115  TIP3      OH2            -9.2245394112       -6.2954779730      -13.3666624389  SOLV      112             0.0000000000
       368       115  TIP3      H1             -9.6843394112       -6.7796479730      -12.6808124389  SOLV      112             0.0000000000
       369       115  TIP3      H2             -8.9696694112       -6.9639379730      -14.0026124389  SOLV      112             0.0000000000
       370       116  TIP3      OH2            -9.9356094112       -8.4027679730       -1.0107024389  SOLV      113             0.0000000000
       371       116  TIP3      H1            -10.5539994112       -7.7281079730       -0.7302324389  SOLV      113             0.0000000000
       372       116  TIP3      H2             -9.5914894112       -8.0813779730       -1.8440824389  SOLV      113             0.0000000000
       373       117  TIP3      OH2            -8.1534994112       -8.0522979730      -15.1043424389  SOLV      114             0.0000000000
       374       117  TIP3      H1             -8.3339994112       -8.2071779730      -16.0315124389  SOLV      114             0.0000000000
       375       117  TIP3      H2             -7.2034494112       -7.9444279730      -15.0595524389  SOLV      114             0.0000000000
       376       118  TIP3      OH2            -9.5962394112      -11.0476879730        0.0716075611  SOLV      115             0.0000000000
       377       118  TIP3      H1             -9.4461494112      -11.7765579730       -0.5304224389  SOLV      115             0.0000000000
       378       118  TIP3      H2             -9.5939994112      -10.2705179730       -0.4871724389  SOLV      115             0.0000000000
       379       119  TIP3      OH2            -9.1836694112      -12.6781079730       -2.4356524389  SOLV      116             0.0000000000
       380       119  TIP3      H1             -8.6479194112      -12.2264379730       -3.0877224389  SOLV      116             0.0000000000
       381       119  TIP3      H2            -10.0357094112      -12.7861279730       -2.8582424389  SOLV      116             0.0000000000
       382       120  TIP3      OH2            -7.6018294112       -7.2384879730       -2.1961324389  SOLV      117             0.0000000000
       383       120  TIP3      H1             -6.8513494112       -7.3947379730       -2.7693524389  SOLV      117             0.0000000000
       384       120  TIP3      H2             -7.9409994112       -6.3868279730       -2.4715824389  SOLV      117             0.0000000000
       385       121  TIP3      OH2            -1.8694894112       -6.6347879730        0.9096675611  SOLV      118             0.0000000000
       386       121  TIP3      H1             -2.1509894112       -5.9253279730        0.3320475611  SOLV      118             0.0000000000
       387       121  TIP3      H2             -0.9270594112       -6.7074879730        0.7587875611  SOLV      118             0.0000000000
       388       122  TIP3      OH2           -11.1176094112       -9.8493379730        1.9831675611  SOLV      119             0.0000000000
       389       122  TIP3      H1            -11.8847094112      -10.3818579730        1.7729275611  SOLV      119             0.0000000000
       390       122  TIP3      H2            -10.4387094112      -10.1592979730        1.3837975611  SOLV      119             0.0000000000
       391       123  TIP3      OH2            -8.3781194112      -15.2215379730       -2.0042924389  SOLV      120             0.0000000000
       392       123  TIP3      H1             -8.4761594112      -14.2752179730       -2.1096724389  SOLV      120             0.0000000000
       393       123  TIP3      H2             -9.1204994112      -15.5941579730       -2.4799424389  SOLV      120             0.0000000000
       394       124  TIP3      OH2            -2.7642594112      -13.1385379730        2.6400875611  SOLV      121             0.0000000000
       395       124  TIP3      H1             -2.8610794112      -14.0908079730        2.6342775611  SOLV      121             0.0000000000
       396       124  TIP3      H2             -3.0859494112      -12.8698579730        3.5006375611  SOLV      121             0.0000000000
       397       125  TIP3      OH2           -12.9373294112      -11.9289579730        1.6876375611  SOLV      122             0.0000000000
       398       125  TIP3      H1            -12.7255894112      -12.6353479730        1.0773875611  SOLV      122             0.0000000000
       399       125  TIP3      H2            -13.0485794112      -12.3663579730        2.5317575611  SOLV      122             0.0000000000
       400       126  TIP3      OH2            -8.2563294112        2.6380720270      -14.1029824389  SOLV      123             0.0000000000
       401       126  TIP3      H1             -7.3232594112        2.7959420270      -13.9591424389  SOLV      123             0.0000000000
       402       126  TIP3      H2             -8.5204494112        3.3133720270      -14.7278324389  SOLV      123             0.0000000000
       403       127  TIP3      OH2           -14.6878394112       -2.7255479730      -14.6201724389  SOLV      124             0.0000000000
       404       127  TIP3      H1            -13.7739194112       -2.6466579730      -14.3467824389  SOLV      124             0.0000000000
       405       127  TIP3      H2            -14.6805294112       -3.4125879730      -15.2866124389  SOLV      124             0.0000000000
       406       128  TIP3      OH2           -15.1688594112        0.7480020270       -7.7381624389  SOLV      125             0.0000000000
       407       128  TIP3      H1            -15.5031794112       -0.1322679730       -7.5661424389  SOLV      125             0.0000000000
       408       128  TIP3      H2            -14.9466194112        1.0935020270       -6.8736024389  SOLV      125             0.0000000000
       409       129  TIP3      OH2             2.3796205888        1.5576420270       -4.7576824389  SOLV      126             0.0000000000
       410       129  TIP3      H1              2.3582905888        1.7424820270       -3.8187424389  SOLV      126             0.0000000000
       411       129  TIP3      H2              3.0702405888        2.1260420270       -5.0985424389  SOLV      126             0.0000000000
       412       130  TIP3      OH2             0.3936405888       -3.0854379730        2.8022575611  SOLV      127             0.0000000000
       413       130  TIP3      H1             -0.4722494112       -3.1904679730        3.1964875611  SOLV      127             0.0000000000
       414       130  TIP3      H2              0.7702305888       -2.3271079730        3.2487275611  SOLV      127             0.0000000000
       415       131  TIP3      OH2             1.6946105888       -4.8290679730      -11.6834924389  SOLV      128             0.0000000000
       416       131  TIP3      H1              2.5447505888       -4.4079779730      -11.5563324389  SOLV      128             0.0000000000
       417       131  TIP3      H2              1.7001205888       -5.5690579730      -11.0763524389  SOLV      128             0.0000000000
       418       132  TIP3      OH2             2.0891705888       -6.7753279730       -9.8599224389  SOLV      129             0.0000000000
       419       132  TIP3      H1              1.3626305888       -7.2550679730       -9.4621624389  SOLV      129             0.0000000000
       420       132  TIP3      H2              2.6705005888       -6.5698579730       -9.1277624389  SOLV      129             0.0000000000
       421       133  TIP3      OH2             1.8482905888       -3.9905779730       -4.9121624389  SOLV      130             0.0000000000
       422       133  TIP3      H1              2.6817105888       -4.3685779730       -5.1928024389  SOLV      130             0.0000000000
       423       133  TIP3      H2              1.9603205888       -3.0474579730       -5.0312524389  SOLV      130             0.0000000000
       424       134  TIP3      OH2             2.3574805888       -6.8744779730      -13.4687924389  SOLV      131             0.0000000000
       425       134  TIP3      H1              1.8355905888       -6.5180679730      -14.1877024389  SOLV      131             0.0000000000
       426       134  TIP3      H2              2.3244005888       -6.1996979730      -12.7907024389  SOLV      131             0.0000000000
       427       135  TIP3      OH2             0.7063805888       -9.6349179730      -14.9180824389  SOLV      132             0.0000000000
       428       135  TIP3      H1              0.8028205888       -8.9682179730      -15.5981124389  SOLV      132             0.0000000000
       429       135  TIP3      H2              0.5663405888      -10.4502879730      -15.3995324389  SOLV      132             0.0000000000
       430       136  TIP3      OH2             0.7321405888       -6.2843479730        0.3417775611  SOLV      133             0.0000000000
       431       136  TIP3      H1              1.3148705888       -7.0191179730        0.5334975611  SOLV      133             0.0000000000
       432       136  TIP3      H2              1.2960705888       -5.5123179730        0.3883575611  SOLV      133             0.0000000000
       433       137  TIP3      OH2             2.2288505888       -8.3817679730        1.0263175611  SOLV      134             0.0000000000
       434       137  TIP3      H1              1.3655205888       -8.7605579730        0.8607875611  SOLV      134             0.0000000000
       435       137  TIP3      H2              2.8332205888       -9.1202879730        0.9518975611  SOLV      134             0.0000000000
       436       138  TIP3      OH2            -0.0462394112      -12.2269379730      -15.8005324389  SOLV      135             0.0000000000
       437       138  TIP3      H1              0.5643405888      -12.5982579730      -15.1637124389  SOLV      135             0.0000000000
       438       138  TIP3      H2             -0.8830894112      -12.6482479730      -15.6045324389  SOLV      135             0.0000000000
       439       139  TIP3      OH2            -0.4136694112      -10.6720979730      -10.8345424389  SOLV      136             0.0000000000
       440       139  TIP3      H1             -0.1339594112      -11.5790579730      -10.7103724389  SOLV      136             0.0000000000
       441       139  TIP3      H2              0.3455005888      -10.2379479730      -11.2236224389  SOLV      136             0.0000000000
       442       140  TIP3      OH2             0.1981605888      -10.0903579730       -5.3986524389  SOLV      137             0.0000000000
       443       140  TIP3      H1              1.1309605888       -9.8783679730       -5.4330524389  SOLV      137             0.0000000000
       444       140  TIP3      H2             -0.0370894112       -9.9891479730       -4.4763524389  SOLV      137             0.0000000000
       445       141  TIP3      OH2             0.2273505888       -9.3538279730       -2.6227124389  SOLV      138             0.0000000000
       446       141  TIP3      H1             -0.6155194112       -9.0857879730       -2.2567324389  SOLV      138             0.0000000000
       447       141  TIP3      H2              0.6697805888       -8.5316379730       -2.8336024389  SOLV      138             0.0000000000
       448       142  TIP3      OH2           -15.4914294112      -10.9059579730        0.8542075611  SOLV      139             0.0000000000
       449       142  TIP3      H1            -14.5719394112      -11.0281279730        1.0905175611  SOLV      139             0.0000000000
       450       142  TIP3      H2            -15.9409794112      -11.6559879730        1.2435575611  SOLV      139             0.0000000000
       451       143  TIP3      OH2             2.5105105888      -15.3738079730        2.7307875611  SOLV      140             0.0000000000
       452       143  TIP3      H1              2.8602105888      -16.0274579730        2.1252575611  SOLV      140             0.0000000000
       453       143  TIP3      H2              2.6574605888      -14.5363979730        2.2910475611  SOLV      140             0.0000000000
       454       144  TIP3      OH2             0.1998105888      -13.4091679730      -10.7863424389  SOLV      141             0.0000000000
       455       144  TIP3      H1              0.3823105888      -13.8580179730       -9.9608424389  SOLV      141             0.0000000000
       456       144  TIP3      H2             -0.3998994112      -13.9937279730      -11.2498824389  SOLV      141             0.0000000000
       457       145  TIP3      OH2           -14.2701794112      -12.5937979730       -6.2545024389  SOLV      142             0.0000000000
       458       145  TIP3      H1            -13.8250194112      -13.3855479730       -5.9525324389  SOLV      142             0.0000000000
       459       145  TIP3      H2            -13.8038794112      -11.8772779730       -5.8239424389  SOLV      142             0.0000000000
       460       146  TIP3      OH2           -15.9661494112       -9.5944979730       -5.1854824389  SOLV      143             0.0000000000
       461       146  TIP3      H1            -15.4741694112       -9.8154479730       -5.9762824389  SOLV      143             0.0000000000
       462       146  TIP3      H2            -15.6040594112       -8.7541579730       -4.9045324389  SOLV      143             0.0000000000
       463       147  TIP3      OH2             2.0664305888      -13.3413579730      -14.2583124389  SOLV      144             0.0000000000
       464       147  TIP3      H1              2.4786905888      -14.0627879730      -14.7335124389  SOLV      144             0.0000000000
       465       147  TIP3      H2              2.7480805888      -12.6718979730      -14.1998824389  SOLV      144             0.0000000000
       466       148  TIP3      OH2           -15.6524994112      -13.3365879730      -11.1312424389  SOLV      145             0.0000000000
       467       148  TIP3      H1            -16.5776594112      -13.1279279730      -11.2606924389  SOLV      145             0.0000000000
       468       148  TIP3      H2            -15.1985094112      -12.8525079730      -11.8210124389  SOLV      145             0.0000000000
       469       149  TIP3      OH2            -0.8817794112        1.6475820270       -9.1855024389  SOLV      146             0.0000000000
       470       149  TIP3      H1             -0.2294894112        1.2997920270       -9.7935924389  SOLV      146             0.0000000000
       471       149  TIP3      H2             -0.3713994112        2.1359020270       -8.5395324389  SOLV      146             0.0000000000
       472       150  TIP3      OH2           -13.4970294112       -1.4232779730        1.3575875611  SOLV      147             0.0000000000
       473       150  TIP3      H1            -14.3177794112       -1.2486279730        0.8970575611  SOLV      147             0.0000000000
       474       150  TIP3      H2            -13.7492494112       -1.4968079730        2.2780275611  SOLV      147             0.0000000000
       475       151  TIP3      OH2           -10.5427394112       -0.4491579730       -2.3840124389  SOLV      148             0.0000000000
       476       151  TIP3      H1            -10.9676294112        0.3606920270       -2.6665524389  SOLV      148             0.0000000000
       477       151  TIP3      H2             -9.6384594112       -0.3637479730       -2.6860324389  SOLV      148             0.0000000000
       478       152  TIP3      OH2           -13.1410694112        2.8072320270       -2.3364824389  SOLV      149             0.0000000000
       479       152  TIP3      H1            -13.8614294112        3.2473320270       -2.7877124389  SOLV      149             0.0000000000
       480       152  TIP3      H2            -13.5066694112        2.5567020270       -1.4880824389  SOLV      149             0.0000000000
       481       153  TIP3      OH2           -10.6738094112        2.4076220270       -3.3067624389  SOLV      150             0.0000000000
       482       153  TIP3      H1            -11.5385894112        2.4794720270       -2.9027524389  SOLV      150             0.0000000000
       483       153  TIP3      H2            -10.7289094112        2.9543520270       -4.0905124389  SOLV      150             0.0000000000
       484       154  TIP3      OH2            -5.9632494112        2.2955120270       -4.1311624389  SOLV      151             0.0000000000
       485       154  TIP3      H1             -6.4198494112        2.8244820270       -4.7853224389  SOLV      151             0.0000000000
       486       154  TIP3      H2             -5.8004494112        2.8986520270       -3.4059324389  SOLV      151             0.0000000000
       487       155  TIP3      OH2            -3.6356194112        1.1734720270       -3.1861324389  SOLV      152             0.0000000000
       488       155  TIP3      H1             -4.5402494112        1.3384920270       -3.4519224389  SOLV      152             0.0000000000
       489       155  TIP3      H2             -3.2067594112        2.0266920270       -3.2517924389  SOLV      152             0.0000000000
       490       156  TIP3      OH2            -1.0314294112        2.7433820270       -2.8913524389  SOLV      153             0.0000000000
       491       156  TIP3      H1             -1.2132294112        3.6592720270       -3.1018624389  SOLV      153             0.0000000000
       492       156  TIP3      H2             -0.8546494112        2.3330920270       -3.7378924389  SOLV      153             0.0000000000
       493       157  TIP3      OH2           -13.7262594112        1.4304820270       -5.4263024389  SOLV      154             0.0000000000
       494       157  TIP3      H1            -13.7446594112        1.0049920270       -4.5690724389  SOLV      154             0.0000000000
       495       157  TIP3      H2            -12.9214694112        1.1119820270       -5.8350824389  SOLV      154             0.0000000000
       496       158  TIP3      OH2           -11.5849494112        0.1403520270       -6.7713124389  SOLV      155             0.0000000000
       497       158  TIP3      H1            -11.8038794112       -0.7759079730       -6.6017124389  SOLV      155             0.0000000000
       498       158  TIP3      H2            -10.7607294112        0.2803920270       -6.3051724389  SOLV      155             0.0000000000
       499       159  TIP3      OH2            -9.0476994112        0.6102820270       -5.9225124389  SOLV      156             0.0000000000
       500       159  TIP3      H1             -8.8351294112       -0.2778179730       -6.2094224389  SOLV      156             0.0000000000
       501       159  TIP3      H2             -8.9831894112        0.5760520270       -4.9681124389  SOLV      156             0.0000000000
       502       160  TIP3      OH2            -5.5393294112      -13.7256579730       -6.7781824389  SOLV      157             0.0000000000
       503       160  TIP3      H1             -6.2136494112      -14.3550979730       -6.5226024389  SOLV      157             0.0000000000
       504       160  TIP3      H2             -4.9754094112      -14.2097679730       -7.3813924389  SOLV      157             0.0000000000
       505       161  TIP3      OH2            -0.3966094112      -15.6182579730       -6.6654724389  SOLV      158             0.0000000000
       506       161  TIP3      H1              0.2071505888      -15.0707179730       -7.1673724389  SOLV      158             0.0000000000
       507       161  TIP3      H2             -1.2664094112      -15.2992179730       -6.9060624389  SOLV      158             0.0000000000
       508       162  TIP3      OH2             1.3304305888      -14.4793879730       -8.3323824389  SOLV      159             0.0000000000
       509       162  TIP3      H1              1.9421805888      -14.9938179730       -8.8590224389  SOLV      159             0.0000000000
       510       162  TIP3      H2              1.7127705888      -13.6021779730       -8.3089424389  SOLV      159             0.0000000000
       511       163  TIP3      OH2           -13.2125794112      -15.0916279730       -8.9561924389  SOLV      160             0.0000000000
       512       163  TIP3      H1            -13.9895994112      -15.3261379730       -9.4636024389  SOLV      160             0.0000000000
       513       163  TIP3      H2            -12.6822194112      -15.8884179730       -8.9473924389  SOLV      160             0.0000000000
       514       164  TIP3      OH2           -14.3762394112      -15.2938179730      -13.1525824389  SOLV      161             0.0000000000
       515       164  TIP3      H1            -13.9371694112      -14.6827679730      -13.7442324389  SOLV      161             0.0000000000
       516       164  TIP3      H2            -15.0099994112      -14.7554079730      -12.6785824389  SOLV      161             0.0000000000
       517       165  TIP3      OH2            -8.6333194112      -15.1649179730       -9.1428824389  SOLV      162             0.0000000000
       518       165  TIP3      H1             -7.7589794112      -14.7764879730       -9.1724524389  SOLV      162             0.0000000000
       519       165  TIP3      H2             -8.7692394112      -15.3801379730       -8.2201624389  SOLV      162             0.0000000000
       520       166  TIP3      OH2            -3.0764794112      -15.1349379730       -7.4937124389  SOLV      163             0.0000000000
       521       166  TIP3      H1             -3.0003194112      -15.0397779730       -8.4431124389  SOLV      163             0.0000000000
       522       166  TIP3      H2             -3.3515594112      -16.0426479730       -7.3648024389  SOLV      163             0.0000000000
       523       167  TIP3      OH2            -1.7232194112      -15.1091579730      -11.8012124389  SOLV      164             0.0000000000
       524       167  TIP3      H1             -2.4261094112      -14.4942379730      -12.0110724389  SOLV      164             0.0000000000
       525       167  TIP3      H2             -2.1680794112      -15.9464879730      -11.6701224389  SOLV      164             0.0000000000
       526       168  TIP3      OH2           -14.4752894112        0.6544020270      -12.2550724389  SOLV      165             0.0000000000
       527       168  TIP3      H1            -15.1602994112        0.6162920270      -12.9225624389  SOLV      165             0.0000000000
       528       168  TIP3      H2            -14.4715694112        1.5671620270      -11.9668624389  SOLV      165             0.0000000000
       529       169  TIP3      OH2           -12.5153294112      -13.3776679730      -14.7101724389  SOLV      166             0.0000000000
       530       169  TIP3      H1            -12.0239894112      -14.0074279730      -15.2376224389  SOLV      166             0.0000000000
       531       169  TIP3      H2            -11.8916994112      -13.0817279730      -14.0470524389  SOLV      166             0.0000000000
       532       170  TIP3      OH2            -7.4893194112      -13.0845179730      -12.2531224389  SOLV      167             0.0000000000
       533       170  TIP3      H1             -7.3111894112      -13.7311979730      -11.5702624389  SOLV      167             0.0000000000
       534       170  TIP3      H2             -7.5426994112      -12.2507479730      -11.7860124389  SOLV      167             0.0000000000
       535       171  TIP3      OH2            -5.6109394112        1.8638920270      -13.8574524389  SOLV      168             0.0000000000
       536       171  TIP3      H1             -4.7449194112        2.2306320270      -14.0356324389  SOLV      168             0.0000000000
       537       171  TIP3      H2             -5.8576594112        1.4246920270      -14.6713724389  SOLV      168             0.0000000000
       538       172  TIP3      OH2             1.0980205888        1.4269220270      -11.1783424389  SOLV      169             0.0000000000
       539       172  TIP3      H1              0.9037305888        0.6791320270      -11.7433824389  SOLV      169             0.0000000000
       540       172  TIP3      H2              1.0590305888        2.1849320270      -11.7615524389  SOLV      169             0.0000000000
       541       173  TIP3      OH2           -13.2547794112      -14.5774379730        0.5614275611  SOLV      170             0.0000000000
       542       173  TIP3      H1            -13.6209594112      -15.3431779730        1.0038975611  SOLV      170             0.0000000000
       543       173  TIP3      H2            -12.3419294112      -14.5484179730        0.8479375611  SOLV      170             0.0000000000
       544       174  TIP3      OH2           -11.2816994112      -15.2269979730        2.0971375611  SOLV      171             0.0000000000
       545       174  TIP3      H1            -10.3833394112      -15.5009779730        1.9124775611  SOLV      171             0.0000000000
       546       174  TIP3      H2            -11.6683894112      -15.9693979730        2.5613975611  SOLV      171             0.0000000000
       547       175  TIP3      OH2           -12.6571694112        1.5744820270      -15.2298624389  SOLV      172             0.0000000000
       548       175  TIP3      H1            -12.9247094112        1.8607720270      -14.3565524389  SOLV      172             0.0000000000
       549       175  TIP3      H2            -11.8859094112        1.0284020270      -15.0776124389  SOLV      172             0.0000000000
       550       176  TIP3      OH2            14.7216805888       -5.9353979730       -8.9974424389  SOLV      173             0.0000000000
       551       176  TIP3      H1             14.8107905888       -4.9915779730       -9.1297324389  SOLV      173             0.0000000000
       552       176  TIP3      H2             14.0834405888       -6.2107579730       -9.6555024389  SOLV      173             0.0000000000
       553       177  TIP3      OH2            13.6548105888       -6.6803279730       -5.5786224389  SOLV      174             0.0000000000
       554       177  TIP3      H1             13.6165605888       -7.3266979730       -4.8736624389  SOLV      174             0.0000000000
       555       177  TIP3      H2             13.3324605888       -7.1468879730       -6.3497524389  SOLV      174             0.0000000000
       556       178  TIP3      OH2             6.0233105888       -7.0661179730       -3.9856324389  SOLV      175             0.0000000000
       557       178  TIP3      H1              6.0645205888       -7.6917879730       -3.2623924389  SOLV      175             0.0000000000
       558       178  TIP3      H2              6.7260805888       -6.4422579730       -3.8035924389  SOLV      175             0.0000000000
       559       179  TIP3      OH2             6.9466205888       -2.6162279730       -5.4507224389  SOLV      176             0.0000000000
       560       179  TIP3      H1              6.5771405888       -3.4181779730       -5.8202924389  SOLV      176             0.0000000000
       561       179  TIP3      H2              7.8877305888       -2.7847379730       -5.4043824389  SOLV      176             0.0000000000
       562       180  TIP3      OH2             3.5566705888       -8.9559679730      -10.0578424389  SOLV      177             0.0000000000
       563       180  TIP3      H1              3.1090105888       -8.1100979730      -10.0761924389  SOLV      177             0.0000000000
       564       180  TIP3      H2              2.9957905888       -9.5355479730      -10.5733324389  SOLV      177             0.0000000000
       565       181  TIP3      OH2             4.2672805888       -6.7940079730       -7.9320424389  SOLV      178             0.0000000000
       566       181  TIP3      H1              4.4806305888       -7.5638479730       -7.4047424389  SOLV      178             0.0000000000
       567       181  TIP3      H2              5.0050405888       -6.7043379730       -8.5352824389  SOLV      178             0.0000000000
       568       182  TIP3      OH2            14.4723805888        1.3628820270       -7.0650724389  SOLV      179             0.0000000000
       569       182  TIP3      H1             15.0920205888        0.6863520270       -7.3381524389  SOLV      179             0.0000000000
       570       182  TIP3      H2             14.2641205888        1.1449620270       -6.1565824389  SOLV      179             0.0000000000
       571       183  TIP3      OH2            12.0442505888       -4.2481879730       -5.1725224389  SOLV      180             0.0000000000
       572       183  TIP3      H1             12.3480405888       -4.9340479730       -5.7671124389  SOLV      180             0.0000000000
       573       183  TIP3      H2             12.7656505888       -4.1293179730       -4.5547224389  SOLV      180             0.0000000000
       574       184  TIP3      OH2            15.1849505888       -9.8539479730       -4.8450424389  SOLV      181             0.0000000000
       575       184  TIP3      H1             15.3275405888      -10.8002479730       -4.8248824389  SOLV      181             0.0000000000
       576       184  TIP3      H2             15.0788505888       -9.6469679730       -5.7735524389  SOLV      181             0.0000000000
       577       185  TIP3      OH2             8.3397805888      -11.7523079730       -7.5725624389  SOLV      182             0.0000000000
       578       185  TIP3      H1              8.3828905888      -10.8924579730       -7.9909324389  SOLV      182             0.0000000000
       579       185  TIP3      H2              7.8821905888      -12.3048379730       -8.2062424389  SOLV      182             0.0000000000
       580       186  TIP3      OH2             4.9599305888       -9.3557279730       -6.8104224389  SOLV      183             0.0000000000
       581       186  TIP3      H1              5.6135905888       -9.9055579730       -6.3784124389  SOLV      183             0.0000000000
       582       186  TIP3      H2              4.9838605888       -9.6298279730       -7.7272224389  SOLV      183             0.0000000000
       583       187  TIP3      OH2            10.1163805888       -7.8055979730       -7.5952724389  SOLV      184             0.0000000000
       584       187  TIP3      H1             10.7324805888       -8.3320579730       -7.0858724389  SOLV      184             0.0000000000
       585       187  TIP3      H2              9.5302605888       -8.4457279730       -7.9989124389  SOLV      184             0.0000000000
       586       188  TIP3      OH2             7.1499705888      -12.8344679730       -3.4984824389  SOLV      185             0.0000000000
       587       188  TIP3      H1              6.9311405888      -12.3044079730       -4.2648824389  SOLV      185             0.0000000000
       588       188  TIP3      H2              6.4820605888      -12.6079179730       -2.8513424389  SOLV      185             0.0000000000
       589       189  TIP3      OH2            14.5189505888       -3.3343579730       -9.9545724389  SOLV      186             0.0000000000
       590       189  TIP3      H1             14.2234605888       -3.6571279730      -10.8058824389  SOLV      186             0.0000000000
       591       189  TIP3      H2             14.1947305888       -2.4346879730       -9.9133124389  SOLV      186             0.0000000000
       592       190  TIP3      OH2             9.7191105888       -5.1588979730       -3.2111124389  SOLV      187             0.0000000000
       593       190  TIP3      H1              8.9790205888       -4.5607479730       -3.1075924389  SOLV      187             0.0000000000
       594       190  TIP3      H2             10.4330605888       -4.6049379730       -3.5267524389  SOLV      187             0.0000000000
       595       191  TIP3      OH2             6.7437005888      -10.9422879730       -5.5462624389  SOLV      188             0.0000000000
       596       191  TIP3      H1              7.3573305888      -10.3095279730       -5.1730224389  SOLV      188             0.0000000000
       597       191  TIP3      H2              7.2557705888      -11.4147879730       -6.2025724389  SOLV      188             0.0000000000
       598       192  TIP3      OH2             8.1265405888       -3.1945979730       -2.4239624389  SOLV      189             0.0000000000
       599       192  TIP3      H1              8.1213005888       -2.3152479730       -2.8020324389  SOLV      189             0.0000000000
       600       192  TIP3      H2              7.2729505888       -3.2781879730       -1.9989724389  SOLV      189             0.0000000000
       601       193  TIP3      OH2             4.2476305888       -3.5238079730      -11.6420324389  SOLV      190             0.0000000000
       602       193  TIP3      H1              3.9757205888       -3.2947079730      -12.5307424389  SOLV      190             0.0000000000
       603       193  TIP3      H2              4.2932005888       -2.6859279730      -11.1815024389  SOLV      190             0.0000000000
       604       194  TIP3      OH2            13.4429305888       -6.6913979730      -11.5454124389  SOLV      191             0.0000000000
       605       194  TIP3      H1             12.7314805888       -6.1564279730      -11.8973624389  SOLV      191             0.0000000000
       606       194  TIP3      H2             14.1338905888       -6.6361879730      -12.2055224389  SOLV      191             0.0000000000
       607       195  TIP3      OH2            13.4968505888       -8.2339679730      -14.5069124389  SOLV      192             0.0000000000
       608       195  TIP3      H1             14.1978405888       -8.2112779730      -13.8555124389  SOLV      192             0.0000000000
       609       195  TIP3      H2             13.7991405888       -8.8619979730      -15.1629824389  SOLV      192             0.0000000000
       610       196  TIP3      OH2             8.4940705888       -5.8514479730       -8.7113224389  SOLV      193             0.0000000000
       611       196  TIP3      H1              8.1635905888       -6.2221079730       -9.5296224389  SOLV      193             0.0000000000
       612       196  TIP3      H2              9.0824805888       -6.5220479730       -8.3644924389  SOLV      193             0.0000000000
       613       197  TIP3      OH2             9.8608205888       -2.4233879730       -6.0301024389  SOLV      194             0.0000000000
       614       197  TIP3      H1              9.7659505888       -3.0020779730       -6.7866424389  SOLV      194             0.0000000000
       615       197  TIP3      H2             10.5901805888       -2.7948179730       -5.5338224389  SOLV      194             0.0000000000
       616       198  TIP3      OH2             8.8606205888       -7.0828879730       -5.0778224389  SOLV      195             0.0000000000
       617       198  TIP3      H1              9.4258705888       -6.9614679730       -5.8407024389  SOLV      195             0.0000000000
       618       198  TIP3      H2              9.1795105888       -6.4453879730       -4.4389724389  SOLV      195             0.0000000000
       619       199  TIP3      OH2            15.1698405888       -1.5796979730       -4.3437724389  SOLV      196             0.0000000000
       620       199  TIP3      H1             14.9295005888       -0.9173879730       -3.6958524389  SOLV      196             0.0000000000
       621       199  TIP3      H2             14.9716605888       -2.4141779730       -3.9188124389  SOLV      196             0.0000000000
       622       200  TIP3      OH2             9.7406905888       -2.6836179730       -0.3606324389  SOLV      197             0.0000000000
       623       200  TIP3      H1              9.4294405888       -1.9012979730        0.0946875611  SOLV      197             0.0000000000
       624       200  TIP3      H2              9.0907105888       -2.8367079730       -1.0464324389  SOLV      197             0.0000000000
       625       201  TIP3      OH2             6.6606805888       -6.4855079730       -1.1320624389  SOLV      198             0.0000000000
       626       201  TIP3      H1              6.7310005888       -5.8348279730       -0.4335624389  SOLV      198             0.0000000000
       627       201  TIP3      H2              5.7699005888       -6.3827579730       -1.4669724389  SOLV      198             0.0000000000
       628       202  TIP3      OH2            13.4461405888       -0.5829279730       -9.4733924389  SOLV      199             0.0000000000
       629       202  TIP3      H1             13.9199005888       -0.2872979730       -8.6959724389  SOLV      199             0.0000000000
       630       202  TIP3      H2             12.8830705888        0.1552320270       -9.7064324389  SOLV      199             0.0000000000
       631       203  TIP3      OH2             7.4843405888       -6.7820179730      -11.1220424389  SOLV      200             0.0000000000
       632       203  TIP3      H1              7.1924705888       -6.0138479730      -11.6129124389  SOLV      200             0.0000000000
       633       203  TIP3      H2              6.8098605888       -7.4413979730      -11.2849024389  SOLV      200             0.0000000000
       634       204  TIP3      OH2             3.5773505888       -4.4190979730       -2.3070624389  SOLV      201             0.0000000000
       635       204  TIP3      H1              3.0761905888       -4.4471579730       -3.1220924389  SOLV      201             0.0000000000
       636       204  TIP3      H2              3.5827205888       -5.3247779730       -1.9973324389  SOLV      201             0.0000000000
       637       205  TIP3      OH2             3.3276205888       -1.6387179730       -5.4230424389  SOLV      202             0.0000000000
       638       205  TIP3      H1              4.2736805888       -1.7830179730       -5.4420924389  SOLV      202             0.0000000000
       639       205  TIP3      H2              3.2152505888       -0.8544379730       -4.8859224389  SOLV      202             0.0000000000
       640       206  TIP3      OH2            12.5038705888       -1.3988279730       -0.8645324389  SOLV      203             0.0000000000
       641       206  TIP3      H1             12.5913305888       -0.5723679730       -0.3896224389  SOLV      203             0.0000000000
       642       206  TIP3      H2             11.6403805888       -1.7284479730       -0.6156024389  SOLV      203             0.0000000000
       643       207  TIP3      OH2            12.9184505888        2.3735420270      -11.0584724389  SOLV      204             0.0000000000
       644       207  TIP3      H1             12.8430505888        2.2522620270      -12.0049524389  SOLV      204             0.0000000000
       645       207  TIP3      H2             12.9513205888        3.3228120270      -10.9400124389  SOLV      204             0.0000000000
       646       208  TIP3      OH2             6.5718305888        1.1622420270       -9.2775724389  SOLV      205             0.0000000000
       647       208  TIP3      H1              6.7238705888        0.8142820270       -8.3989224389  SOLV      205             0.0000000000
       648       208  TIP3      H2              5.7208705888        0.8059720270       -9.5328524389  SOLV      205             0.0000000000
       649       209  TIP3      OH2            15.6888605888        1.4532720270      -11.3070124389  SOLV      206             0.0000000000
       650       209  TIP3      H1             14.7538405888        1.5534620270      -11.1283124389  SOLV      206             0.0000000000
       651       209  TIP3      H2             15.9690505888        0.7438720270      -10.7286924389  SOLV      206             0.0000000000
       652       210  TIP3      OH2             8.4452005888      -14.6255079730       -5.2683624389  SOLV      207             0.0000000000
       653       210  TIP3      H1              7.5835705888      -14.7126879730       -5.6760724389  SOLV      207             0.0000000000
       654       210  TIP3      H2              8.4227705888      -13.7694979730       -4.8406024389  SOLV      207             0.0000000000
       655       211  TIP3      OH2            13.1079805888      -14.9034679730       -1.8936624389  SOLV      208             0.0000000000
       656       211  TIP3      H1             13.5282905888      -15.3187579730       -1.1406024389  SOLV      208             0.0000000000
       657       211  TIP3      H2             12.1749405888      -15.0821379730       -1.7764624389  SOLV      208             0.0000000000
       658       212  TIP3      OH2            12.7697105888      -12.4111279730      -14.6085824389  SOLV      209             0.0000000000
       659       212  TIP3      H1             12.5161905888      -12.3919679730      -13.6857724389  SOLV      209             0.0000000000
       660       212  TIP3      H2             12.5129205888      -13.2825879730      -14.9099624389  SOLV      209             0.0000000000
       661       213  TIP3      OH2             8.5362105888       -9.6600579730       -4.1733424389  SOLV      210             0.0000000000
       662       213  TIP3      H1              7.8944205888       -9.7003279730       -3.4643324389  SOLV      210             0.0000000000
       663       213  TIP3      H2              8.5734105888       -8.7335879730       -4.4110424389  SOLV      210             0.0000000000
       664       214  TIP3      OH2             8.5331205888       -9.4390479730       -9.2613424389  SOLV      211             0.0000000000
       665       214  TIP3      H1              7.6404105888       -9.7794379730       -9.3199624389  SOLV      211             0.0000000000
       666       214  TIP3      H2              8.9837805888       -9.8159579730      -10.0170224389  SOLV      211             0.0000000000
       667       215  TIP3      OH2            14.0686705888       -9.0230179730      -10.4442624389  SOLV      212             0.0000000000
       668       215  TIP3      H1             13.6597005888       -8.2081579730      -10.7357824389  SOLV      212             0.0000000000
       669       215  TIP3      H2             14.7892905888       -9.1630079730      -11.0585524389  SOLV      212             0.0000000000
       670       216  TIP3      OH2            13.1708305888       -8.8473779730        1.0438075611  SOLV      213             0.0000000000
       671       216  TIP3      H1             12.6082105888       -9.5522179730        1.3645875611  SOLV      213             0.0000000000
       672       216  TIP3      H2             13.9971705888       -8.9681879730        1.5115675611  SOLV      213             0.0000000000
       673       217  TIP3      OH2            15.0734405888       -9.5769779730       -7.6302924389  SOLV      214             0.0000000000
       674       217  TIP3      H1             14.8778905888       -8.9712979730       -8.3452324389  SOLV      214             0.0000000000
       675       217  TIP3      H2             15.2547005888      -10.4104579730       -8.0646624389  SOLV      214             0.0000000000
       676       218  TIP3      OH2             6.2862605888       -9.3397079730       -2.3061424389  SOLV      215             0.0000000000
       677       218  TIP3      H1              6.2482005888       -8.9395479730       -1.4374324389  SOLV      215             0.0000000000
       678       218  TIP3      H2              5.7953705888      -10.1564679730       -2.2158524389  SOLV      215             0.0000000000
       679       219  TIP3      OH2             9.6520005888      -11.9654779730      -15.5075424389  SOLV      216             0.0000000000
       680       219  TIP3      H1              9.2210705888      -12.4104679730      -14.7778024389  SOLV      216             0.0000000000
       681       219  TIP3      H2              8.9338705888      -11.5938479730      -16.0197924389  SOLV      216             0.0000000000
       682       220  TIP3      OH2             2.8943405888      -12.2235279730       -8.4556724389  SOLV      217             0.0000000000
       683       220  TIP3      H1              3.5251105888      -12.2523179730       -7.7362824389  SOLV      217             0.0000000000
       684       220  TIP3      H2              3.3437705888      -12.6486579730       -9.1860824389  SOLV      217             0.0000000000
       685       221  TIP3      OH2             4.1685505888      -11.4773279730      -13.0316324389  SOLV      218             0.0000000000
       686       221  TIP3      H1              4.6427205888      -10.8863379730      -13.6165424389  SOLV      218             0.0000000000
       687       221  TIP3      H2              3.4511905888      -10.9470379730      -12.6846224389  SOLV      218             0.0000000000
       688       222  TIP3      OH2            14.3373605888       -7.9388479730       -2.9590524389  SOLV      219             0.0000000000
       689       222  TIP3      H1             14.6608405888       -8.5698779730       -3.6020024389  SOLV      219             0.0000000000
       690       222  TIP3      H2             13.8972905888       -8.4736279730       -2.2983124389  SOLV      219             0.0000000000
       691       223  TIP3      OH2            11.1146505888      -12.0112979730       -8.1749324389  SOLV      220             0.0000000000
       692       223  TIP3      H1             10.2037605888      -11.9546179730       -7.8863324389  SOLV      220             0.0000000000
       693       223  TIP3      H2             11.6199405888      -12.0717479730       -7.3642124389  SOLV      220             0.0000000000
       694       224  TIP3      OH2             5.9429905888      -10.3826679730       -9.3481724389  SOLV      221             0.0000000000
       695       224  TIP3      H1              5.0537905888      -10.2831179730       -9.6882124389  SOLV      221             0.0000000000
       696       224  TIP3      H2              6.2394805888      -11.2243679730       -9.6943824389  SOLV      221             0.0000000000
       697       225  TIP3      OH2             9.5961705888      -10.3824079730      -11.6917124389  SOLV      222             0.0000000000
       698       225  TIP3      H1             10.5277205888      -10.2534079730      -11.5134024389  SOLV      222             0.0000000000
       699       225  TIP3      H2              9.3812005888       -9.7129779730      -12.3412424389  SOLV      222             0.0000000000
       700       226  TIP3      OH2            15.5198405888      -12.7766679730       -4.9107524389  SOLV      223             0.0000000000
       701       226  TIP3      H1             14.8430005888      -12.6453579730       -4.2467824389  SOLV      223             0.0000000000
       702       226  TIP3      H2             15.0343305888      -12.9317179730       -5.7209824389  SOLV      223             0.0000000000
       703       227  TIP3      OH2             8.2701905888       -9.1881879730      -14.1251024389  SOLV      224             0.0000000000
       704       227  TIP3      H1              7.7277005888       -9.5678079730      -14.8163424389  SOLV      224             0.0000000000
       705       227  TIP3      H2              9.1036805888       -8.9937179730      -14.5536924389  SOLV      224             0.0000000000
       706       228  TIP3      OH2             6.4053305888       -4.6309979730        0.9740575611  SOLV      225             0.0000000000
       707       228  TIP3      H1              7.1375705888       -4.3764079730        1.5355075611  SOLV      225             0.0000000000
       708       228  TIP3      H2              5.6252005888       -4.4264579730        1.4895975611  SOLV      225             0.0000000000
       709       229  TIP3      OH2            12.4346205888       -9.2239979730       -6.2879724389  SOLV      226             0.0000000000
       710       229  TIP3      H1             12.9989605888       -9.7703379730       -6.8350124389  SOLV      226             0.0000000000
       711       229  TIP3      H2             12.2869605888       -9.7458079730       -5.4992124389  SOLV      226             0.0000000000
       712       230  TIP3      OH2             7.4365905888      -13.0873879730       -9.8694924389  SOLV      227             0.0000000000
       713       230  TIP3      H1              7.1195405888      -13.9898579730       -9.9049524389  SOLV      227             0.0000000000
       714       230  TIP3      H2              8.2180005888      -13.0856479730      -10.4223324389  SOLV      227             0.0000000000
       715       231  TIP3      OH2            11.0612105888      -10.8353879730       -3.8739324389  SOLV      228             0.0000000000
       716       231  TIP3      H1             10.2257405888      -10.3814379730       -3.7636924389  SOLV      228             0.0000000000
       717       231  TIP3      H2             11.5852705888      -10.5595379730       -3.1219424389  SOLV      228             0.0000000000
       718       232  TIP3      OH2            11.6054705888       -4.6226179730      -12.1892924389  SOLV      229             0.0000000000
       719       232  TIP3      H1             10.8605705888       -5.1300879730      -12.5115024389  SOLV      229             0.0000000000
       720       232  TIP3      H2             11.4711905888       -4.5738179730      -11.2428124389  SOLV      229             0.0000000000
       721       233  TIP3      OH2            15.5031505888      -11.8086279730      -13.9900324389  SOLV      230             0.0000000000
       722       233  TIP3      H1             14.5645705888      -11.6970679730      -14.1411524389  SOLV      230             0.0000000000
       723       233  TIP3      H2             15.8003605888      -10.9519379730      -13.6834624389  SOLV      230             0.0000000000
       724       234  TIP3      OH2            13.1246805888       -4.4382879730       -0.9523824389  SOLV      231             0.0000000000
       725       234  TIP3      H1             12.7792905888       -4.8200479730       -0.1454224389  SOLV      231             0.0000000000
       726       234  TIP3      H2             12.9246905888       -3.5049279730       -0.8810924389  SOLV      231             0.0000000000
       727       235  TIP3      OH2             6.7303005888       -5.3276179730       -6.4195024389  SOLV      232             0.0000000000
       728       235  TIP3      H1              7.4750205888       -5.3300479730       -7.0208524389  SOLV      232             0.0000000000
       729       235  TIP3      H2              6.8079605888       -6.1512379730       -5.9379924389  SOLV      232             0.0000000000
       730       236  TIP3      OH2            13.7308805888       -3.1641879730      -13.1638324389  SOLV      233             0.0000000000
       731       236  TIP3      H1             13.4357205888       -2.3373979730      -12.7823524389  SOLV      233             0.0000000000
       732       236  TIP3      H2             13.0278805888       -3.7834979730      -12.9676924389  SOLV      233             0.0000000000
       733       237  TIP3      OH2             3.7382705888       -6.8669279730       -1.1046524389  SOLV      234             0.0000000000
       734       237  TIP3      H1              3.9611305888       -7.2849679730       -0.2729024389  SOLV      234             0.0000000000
       735       237  TIP3      H2              3.1362805888       -7.4794279730       -1.5273724389  SOLV      234             0.0000000000
       736       238  TIP3      OH2            10.7547605888       -7.3499379730        1.1083175611  SOLV      235             0.0000000000
       737       238  TIP3      H1             10.4588405888       -7.5156379730        0.2132275611  SOLV      235             0.0000000000
       738       238  TIP3      H2             11.6862805888       -7.5699079730        1.0977075611  SOLV      235             0.0000000000
       739       239  TIP3      OH2            15.3750405888       -1.9767379730       -1.0018824389  SOLV      236             0.0000000000
       740       239  TIP3      H1             14.4744705888       -1.7934779730       -1.2694924389  SOLV      236             0.0000000000
       741       239  TIP3      H2             15.4091505888       -1.7178079730       -0.0810024389  SOLV      236             0.0000000000
       742       240  TIP3      OH2             9.1052405888       -1.8097979730       -9.0153524389  SOLV      237             0.0000000000
       743       240  TIP3      H1              9.6324605888       -1.0363579730       -9.2154724389  SOLV      237             0.0000000000
       744       240  TIP3      H2              8.2250905888       -1.5848779730       -9.3169524389  SOLV      237             0.0000000000
       745       241  TIP3      OH2             4.8600105888       -6.9473879730      -14.4281124389  SOLV      238             0.0000000000
       746       241  TIP3      H1              5.4760005888       -6.3206679730      -14.0486324389  SOLV      238             0.0000000000
       747       241  TIP3      H2              3.9982705888       -6.6314079730      -14.1564624389  SOLV      238             0.0000000000
       748       242  TIP3      OH2            10.5324705888       -4.1468079730       -9.4389224389  SOLV      239             0.0000000000
       749       242  TIP3      H1             10.2914705888       -3.2213679730       -9.3973924389  SOLV      239             0.0000000000
       750       242  TIP3      H2              9.7918305888       -4.6056779730       -9.0425324389  SOLV      239             0.0000000000
       751       243  TIP3      OH2            11.0471305888        0.0025520270       -3.1238124389  SOLV      240             0.0000000000
       752       243  TIP3      H1             11.4096005888        0.8571120270       -3.3573724389  SOLV      240             0.0000000000
       753       243  TIP3      H2             11.5786505888       -0.2892879730       -2.3831824389  SOLV      240             0.0000000000
       754       244  TIP3      OH2             9.2155505888        0.8749520270       -9.8937024389  SOLV      241             0.0000000000
       755       244  TIP3      H1              8.2656005888        0.9806920270       -9.8423724389  SOLV      241             0.0000000000
       756       244  TIP3      H2              9.5673605888        1.6956920270       -9.5489524389  SOLV      241             0.0000000000
       757       245  TIP3      OH2            14.5912105888       -3.8983779730       -3.4232524389  SOLV      242             0.0000000000
       758       245  TIP3      H1             14.1653405888       -4.1262079730       -2.5968524389  SOLV      242             0.0000000000
       759       245  TIP3      H2             15.1717905888       -4.6371979730       -3.6057224389  SOLV      242             0.0000000000
       760       246  TIP3      OH2             5.3722205888      -12.1136579730       -1.5465124389  SOLV      243             0.0000000000
       761       246  TIP3      H1              4.4794505888      -11.7751179730       -1.6141124389  SOLV      243             0.0000000000
       762       246  TIP3      H2              5.2735005888      -12.9690479730       -1.1284324389  SOLV      243             0.0000000000
       763       247  TIP3      OH2             5.0234205888       -0.3092179730       -3.1115724389  SOLV      244             0.0000000000
       764       247  TIP3      H1              5.2404505888       -1.2409779730       -3.1426024389  SOLV      244             0.0000000000
       765       247  TIP3      H2              5.2697705888       -0.0347179730       -2.2282924389  SOLV      244             0.0000000000
       766       248  TIP3      OH2            10.8848805888       -1.8577179730      -15.9023524389  SOLV      245             0.0000000000
       767       248  TIP3      H1             11.1238605888       -2.6059079730      -16.4494624389  SOLV      245             0.0000000000
       768       248  TIP3      H2             10.6160105888       -2.2455479730      -15.0695724389  SOLV      245             0.0000000000
       769       249  TIP3      OH2             9.8219405888       -2.2873379730      -13.4460924389  SOLV      246             0.0000000000
       770       249  TIP3      H1              9.9687405888       -2.8073579730      -12.6560024389  SOLV      246             0.0000000000
       771       249  TIP3      H2              9.8191105888       -1.3805779730      -13.1395024389  SOLV      246             0.0000000000
       772       250  TIP3      OH2             6.2750505888       -5.0350079730      -12.9355524389  SOLV      247             0.0000000000
       773       250  TIP3      H1              5.5889805888       -4.6827579730      -12.3685824389  SOLV      247             0.0000000000
       774       250  TIP3      H2              6.7978405888       -4.2720479730      -13.1821224389  SOLV      247             0.0000000000
       775       251  TIP3      OH2            14.1065605888      -12.3726279730       -2.6566524389  SOLV      248             0.0000000000
       776       251  TIP3      H1             14.8053505888      -12.2987579730       -2.0066824389  SOLV      248             0.0000000000
       777       251  TIP3      H2             13.7257005888      -13.2371279730       -2.5023624389  SOLV      248             0.0000000000
       778       252  TIP3      OH2            14.8910505888      -12.7204579730      -11.5594224389  SOLV      249             0.0000000000
       779       252  TIP3      H1             15.1108805888      -12.2489179730      -12.3628824389  SOLV      249             0.0000000000
       780       252  TIP3      H2             15.4494505888      -12.3261979730      -10.8893624389  SOLV      249             0.0000000000
       781       253  TIP3      OH2            12.5596605888       -0.5899779730      -12.6966724389  SOLV      250             0.0000000000
       782       253  TIP3      H1             11.7432705888       -0.0930079730      -12.6442424389  SOLV      250             0.0000000000
       783       253  TIP3      H2             13.0892905888       -0.1146279730      -13.3367924389  SOLV      250             0.0000000000
       784       254  TIP3      OH2            12.0910405888      -10.9925779730      -10.7245824389  SOLV      251             0.0000000000
       785       254  TIP3      H1             12.9033005888      -10.4882579730      -10.6784124389  SOLV      251             0.0000000000
       786       254  TIP3      H2             11.8463405888      -11.1376079730       -9.8106224389  SOLV      251             0.0000000000
       787       255  TIP3      OH2            12.6266805888      -10.0063079730       -1.5399224389  SOLV      252             0.0000000000
       788       255  TIP3      H1             12.7457105888       -9.4327679730       -0.7828824389  SOLV      252             0.0000000000
       789       255  TIP3      H2             13.2821405888      -10.6943679730       -1.4251424389  SOLV      252             0.0000000000
       790       256  TIP3      OH2            12.9747105888      -13.9112779730       -9.7864724389  SOLV      253             0.0000000000
       791       256  TIP3      H1             12.6280605888      -13.2942179730       -9.1420424389  SOLV      253             0.0000000000
       792       256  TIP3      H2             13.6334005888      -13.4107079730      -10.2679224389  SOLV      253             0.0000000000
       793       257  TIP3      OH2             9.8979705888        0.4537420270      -12.7149824389  SOLV      254             0.0000000000
       794       257  TIP3      H1             10.0588405888        1.2534920270      -13.2157224389  SOLV      254             0.0000000000
       795       257  TIP3      H2              9.7007505888        0.7603420270      -11.8299224389  SOLV      254             0.0000000000
       796       258  TIP3      OH2             8.6324105888      -12.8483379730      -13.0992224389  SOLV      255             0.0000000000
       797       258  TIP3      H1              8.5488905888      -11.9600279730      -12.7525824389  SOLV      255             0.0000000000
       798       258  TIP3      H2              9.5224405888      -13.1136679730      -12.8675424389  SOLV      255             0.0000000000
       799       259  TIP3      OH2             6.8909405888       -2.4211179730      -14.0387724389  SOLV      256             0.0000000000
       800       259  TIP3      H1              7.4830905888       -1.7216379730      -13.7625324389  SOLV      256             0.0000000000
       801       259  TIP3      H2              7.3502405888       -2.8541679730      -14.7583124389  SOLV      256             0.0000000000
       802       260  TIP3      OH2             5.2068605888       -9.7568179730      -14.9228324389  SOLV      257             0.0000000000
       803       260  TIP3      H1              5.1621205888       -8.8175079730      -14.7441324389  SOLV      257             0.0000000000
       804       260  TIP3      H2              4.3191805888       -9.9923279730      -15.1926224389  SOLV      257             0.0000000000
       805       261  TIP3      OH2             6.0150605888      -14.9751579730       -6.2497324389  SOLV      258             0.0000000000
       806       261  TIP3      H1              5.7860405888      -14.9159079730       -7.1772324389  SOLV      258             0.0000000000
       807       261  TIP3      H2              5.5724005888      -15.7666079730       -5.9433224389  SOLV      258             0.0000000000
       808       262  TIP3      OH2             4.9453905888       -1.0344479730      -10.0891524389  SOLV      259             0.0000000000
       809       262  TIP3      H1              4.1132505888       -0.5621779730      -10.0620124389  SOLV      259             0.0000000000
       810       262  TIP3      H2              5.4912205888       -0.5246879730      -10.6878424389  SOLV      259             0.0000000000
       811       263  TIP3      OH2            12.9230605888        0.0054220270      -15.7637524389  SOLV      260             0.0000000000
       812       263  TIP3      H1             12.2791605888       -0.6257179730      -15.4423824389  SOLV      260             0.0000000000
       813       263  TIP3      H2             13.6848905888       -0.5257779730      -15.9954024389  SOLV      260             0.0000000000
       814       264  TIP3      OH2            15.4079705888       -1.1225279730        1.5902175611  SOLV      261             0.0000000000
       815       264  TIP3      H1             15.0569205888       -1.9792279730        1.8332575611  SOLV      261             0.0000000000
       816       264  TIP3      H2             16.1342905888       -0.9798579730        2.1971175611  SOLV      261             0.0000000000
       817       265  TIP3      OH2             4.1407105888       -4.6116679730        2.1950775611  SOLV      262             0.0000000000
       818       265  TIP3      H1              4.2847605888       -5.5135979730        1.9087475611  SOLV      262             0.0000000000
       819       265  TIP3      H2              3.3684505888       -4.3254579730        1.7073075611  SOLV      262             0.0000000000
       820       266  TIP3      OH2             8.4820805888       -4.2680979730      -15.6724624389  SOLV      263             0.0000000000
       821       266  TIP3      H1              8.5464905888       -5.0621379730      -15.1418224389  SOLV      263             0.0000000000
       822       266  TIP3      H2              9.1350005888       -4.3868179730      -16.3622624389  SOLV      263             0.0000000000
       823       267  TIP3      OH2            10.7963205888       -4.6418579730        1.6277175611  SOLV      264             0.0000000000
       824       267  TIP3      H1             10.4677005888       -4.3710479730        0.7704575611  SOLV      264             0.0000000000
       825       267  TIP3      H2             10.9481405888       -5.5828779730        1.5402175611  SOLV      264             0.0000000000
       826       268  TIP3      OH2            13.8344205888       -3.2209279730      -15.9366624389  SOLV      265             0.0000000000
       827       268  TIP3      H1             13.5658305888       -3.0407179730      -15.0357724389  SOLV      265             0.0000000000
       828       268  TIP3      H2             13.6279805888       -4.1463079730      -16.0680824389  SOLV      265             0.0000000000
       829       269  TIP3      OH2             4.9733605888       -7.4113379730        1.6150075611  SOLV      266             0.0000000000
       830       269  TIP3      H1              5.3814805888       -8.2686779730        1.4940675611  SOLV      266             0.0000000000
       831       269  TIP3      H2              4.7131205888       -7.3972079730        2.5360375611  SOLV      266             0.0000000000
       832       270  TIP3      OH2             9.6314605888       -6.2954779730      -13.3666624389  SOLV      267             0.0000000000
       833       270  TIP3      H1              9.1716605888       -6.7796479730      -12.6808124389  SOLV      267             0.0000000000
       834       270  TIP3      H2              9.8863305888       -6.9639379730      -14.0026124389  SOLV      267             0.0000000000
       835       271  TIP3      OH2             8.9203905888       -8.4027679730       -1.0107024389  SOLV      268             0.0000000000
       836       271  TIP3      H1              8.3020005888       -7.7281079730       -0.7302324389  SOLV      268             0.0000000000
       837       271  TIP3      H2              9.2645105888       -8.0813779730       -1.8440824389  SOLV      268             0.0000000000
       838       272  TIP3      OH2            10.7025005888       -8.0522979730      -15.1043424389  SOLV      269             0.0000000000
       839       272  TIP3      H1             10.5220005888       -8.2071779730      -16.0315124389  SOLV      269             0.0000000000
       840       272  TIP3      H2             11.6525505888       -7.9444279730      -15.0595524389  SOLV      269             0.0000000000
       841       273  TIP3      OH2            13.9402105888       -5.9312379730        2.2667775611  SOLV      270             0.0000000000
       842       273  TIP3      H1             14.8933305888       -5.8473279730        2.2393775611  SOLV      270             0.0000000000
       843       273  TIP3      H2             13.7796705888       -6.6430579730        2.8862675611  SOLV      270             0.0000000000
       844       274  TIP3      OH2             9.2597605888      -11.0476879730        0.0716075611  SOLV      271             0.0000000000
       845       274  TIP3      H1              9.4098505888      -11.7765579730       -0.5304224389  SOLV      271             0.0000000000
       846       274  TIP3      H2              9.2620005888      -10.2705179730       -0.4871724389  SOLV      271             0.0000000000
       847       275  TIP3      OH2             9.6723305888      -12.6781079730       -2.4356524389  SOLV      272             0.0000000000
       848       275  TIP3      H1             10.2080805888      -12.2264379730       -3.0877224389  SOLV      272             0.0000000000
       849       275  TIP3      H2              8.8202905888      -12.7861279730       -2.8582424389  SOLV      272             0.0000000000
       850       276  TIP3      OH2            11.2541705888       -7.2384879730       -2.1961324389  SOLV      273             0.0000000000
       851       276  TIP3      H1             12.0046505888       -7.3947379730       -2.7693524389  SOLV      273             0.0000000000
       852       276  TIP3      H2             10.9150005888       -6.3868279730       -2.4715824389  SOLV      273             0.0000000000
       853       277  TIP3      OH2             7.7383905888       -9.8493379730        1.9831675611  SOLV      274             0.0000000000
       854       277  TIP3      H1              6.9712905888      -10.3818579730        1.7729275611  SOLV      274             0.0000000000
       855       277  TIP3      H2              8.4172905888      -10.1592979730        1.3837975611  SOLV      274             0.0000000000
       856       278  TIP3      OH2            10.4778805888      -15.2215379730       -2.0042924389  SOLV      275             0.0000000000
       857       278  TIP3      H1             10.3798405888      -14.2752179730       -2.1096724389  SOLV      275             0.0000000000
       858       278  TIP3      H2              9.7355005888      -15.5941579730       -2.4799424389  SOLV      275             0.0000000000
       859       279  TIP3      OH2            11.7419305888      -10.8999979730        1.5595475611  SOLV      276             0.0000000000
       860       279  TIP3      H1             11.5064705888      -11.1193279730        2.4610375611  SOLV      276             0.0000000000
       861       279  TIP3      H2             10.9586205888      -11.1068779730        1.0497975611  SOLV      276             0.0000000000
       862       280  TIP3      OH2            14.4575905888      -11.7726479730        0.6348975611  SOLV      277             0.0000000000
       863       280  TIP3      H1             13.5101305888      -11.7406779730        0.7672275611  SOLV      277             0.0000000000
       864       280  TIP3      H2             14.7702605888      -12.3979379730        1.2887175611  SOLV      277             0.0000000000
       865       281  TIP3      OH2             5.9186705888      -11.9289579730        1.6876375611  SOLV      278             0.0000000000
       866       281  TIP3      H1              6.1304105888      -12.6353479730        1.0773875611  SOLV      278             0.0000000000
       867       281  TIP3      H2              5.8074205888      -12.3663579730        2.5317575611  SOLV      278             0.0000000000
       868       282  TIP3      OH2            11.0534405888      -14.2449579730        2.7206175611  SOLV      279             0.0000000000
       869       282  TIP3      H1             10.9216605888      -14.7205779730        1.9004675611  SOLV      279             0.0000000000
       870       282  TIP3      H2             10.4541805888      -13.5005979730        2.6653275611  SOLV      279             0.0000000000
       871       283  TIP3      OH2            10.5996705888        2.6380720270      -14.1029824389  SOLV      280             0.0000000000
       872       283  TIP3      H1             11.5327405888        2.7959420270      -13.9591424389  SOLV      280             0.0000000000
       873       283  TIP3      H2             10.3355505888        3.3133720270      -14.7278324389  SOLV      280             0.0000000000
       874       284  TIP3      OH2             4.1681605888       -2.7255479730      -14.6201724389  SOLV      281             0.0000000000
       875       284  TIP3      H1              5.0820805888       -2.6466579730      -14.3467824389  SOLV      281             0.0000000000
       876       284  TIP3      H2              4.1754705888       -3.4125879730      -15.2866124389  SOLV      281             0.0000000000
       877       285  TIP3      OH2             2.8172205888        2.6673020270       -9.5427824389  SOLV      282             0.0000000000
       878       285  TIP3      H1              2.1699305888        2.2054720270      -10.0756624389  SOLV      282             0.0000000000
       879       285  TIP3      H2              3.1716805888        1.9956320270       -8.9601624389  SOLV      282             0.0000000000
       880       286  TIP3      OH2             3.6871405888        0.7480020270       -7.7381624389  SOLV      283             0.0000000000
       881       286  TIP3      H1              3.3528205888       -0.1322679730       -7.5661424389  SOLV      283             0.0000000000
       882       286  TIP3      H2              3.9093805888        1.0935020270       -6.8736024389  SOLV      283             0.0000000000
       883       287  TIP3      OH2             3.7670905888       -6.1764579730       -5.2866724389  SOLV      284             0.0000000000
       884       287  TIP3      H1              3.9513805888       -6.2582879730       -6.2223824389  SOLV      284             0.0000000000
       885       287  TIP3      H2              4.6163805888       -6.3007579730       -4.8630324389  SOLV      284             0.0000000000
       886       288  TIP3      OH2             3.3645705888      -10.9059579730        0.8542075611  SOLV      285             0.0000000000
       887       288  TIP3      H1              4.2840605888      -11.0281279730        1.0905175611  SOLV      285             0.0000000000
       888       288  TIP3      H2              2.9150205888      -11.6559879730        1.2435575611  SOLV      285             0.0000000000
       889       289  TIP3      OH2             4.5858205888      -12.5937979730       -6.2545024389  SOLV      286             0.0000000000
       890       289  TIP3      H1              5.0309805888      -13.3855479730       -5.9525324389  SOLV      286             0.0000000000
       891       289  TIP3      H2              5.0521205888      -11.8772779730       -5.8239424389  SOLV      286             0.0000000000
       892       290  TIP3      OH2             2.8898505888       -9.5944979730       -5.1854824389  SOLV      287             0.0000000000
       893       290  TIP3      H1              3.3818305888       -9.8154479730       -5.9762824389  SOLV      287             0.0000000000
       894       290  TIP3      H2              3.2519405888       -8.7541579730       -4.9045324389  SOLV      287             0.0000000000
       895       291  TIP3      OH2             3.2035005888      -13.3365879730      -11.1312424389  SOLV      288             0.0000000000
       896       291  TIP3      H1              2.2783405888      -13.1279279730      -11.2606924389  SOLV      288             0.0000000000
       897       291  TIP3      H2              3.6574905888      -12.8525079730      -11.8210124389  SOLV      288             0.0000000000
       898       292  TIP3      OH2             8.3132605888       -0.4491579730       -2.3840124389  SOLV      289             0.0000000000
       899       292  TIP3      H1              7.8883705888        0.3606920270       -2.6665524389  SOLV      289             0.0000000000
       900       292  TIP3      H2              9.2175405888       -0.3637479730       -2.6860324389  SOLV      289             0.0000000000
       901       293  TIP3      OH2            12.6244005888        0.9498420270        0.5753575611  SOLV      290             0.0000000000
       902       293  TIP3      H1             12.8091505888        0.6164520270        1.4533875611  SOLV      290             0.0000000000
       903       293  TIP3      H2             13.4708505888        1.2597020270        0.2532775611  SOLV      290             0.0000000000
       904       294  TIP3      OH2            14.9694405888        2.2357320270       -0.1805024389  SOLV      291             0.0000000000
       905       294  TIP3      H1             15.6463305888        1.6029620270       -0.4205824389  SOLV      291             0.0000000000
       906       294  TIP3      H2             15.2913205888        2.6367820270        0.6268275611  SOLV      291             0.0000000000
       907       295  TIP3      OH2             5.7149305888        2.8072320270       -2.3364824389  SOLV      292             0.0000000000
       908       295  TIP3      H1              4.9945705888        3.2473320270       -2.7877124389  SOLV      292             0.0000000000
       909       295  TIP3      H2              5.3493305888        2.5567020270       -1.4880824389  SOLV      292             0.0000000000
       910       296  TIP3      OH2             8.1821905888        2.4076220270       -3.3067624389  SOLV      293             0.0000000000
       911       296  TIP3      H1              7.3174105888        2.4794720270       -2.9027524389  SOLV      293             0.0000000000
       912       296  TIP3      H2              8.1270905888        2.9543520270       -4.0905124389  SOLV      293             0.0000000000
       913       297  TIP3      OH2            12.8927505888        2.2955120270       -4.1311624389  SOLV      294             0.0000000000
       914       297  TIP3      H1             12.4361505888        2.8244820270       -4.7853224389  SOLV      294             0.0000000000
       915       297  TIP3      H2             13.0555505888        2.8986520270       -3.4059324389  SOLV      294             0.0000000000
       916       298  TIP3      OH2            15.2203805888        1.1734720270       -3.1861324389  SOLV      295             0.0000000000
       917       298  TIP3      H1             14.3157505888        1.3384920270       -3.4519224389  SOLV      295             0.0000000000
       918       298  TIP3      H2             15.6492405888        2.0266920270       -3.2517924389  SOLV      295             0.0000000000
       919       299  TIP3      OH2             5.1297405888        1.4304820270       -5.4263024389  SOLV      296             0.0000000000
       920       299  TIP3      H1              5.1113405888        1.0049920270       -4.5690724389  SOLV      296             0.0000000000
       921       299  TIP3      H2              5.9345305888        1.1119820270       -5.8350824389  SOLV      296             0.0000000000
       922       300  TIP3      OH2             7.2710505888        0.1403520270       -6.7713124389  SOLV      297             0.0000000000
       923       300  TIP3      H1              7.0521205888       -0.7759079730       -6.6017124389  SOLV      297             0.0000000000
       924       300  TIP3      H2              8.0952705888        0.2803920270       -6.3051724389  SOLV      297             0.0000000000
       925       301  TIP3      OH2             9.8083005888        0.6102820270       -5.9225124389  SOLV      298             0.0000000000
       926       301  TIP3      H1             10.0208705888       -0.2778179730       -6.2094224389  SOLV      298             0.0000000000
       927       301  TIP3      H2              9.8728105888        0.5760520270       -4.9681124389  SOLV      298             0.0000000000
       928       302  TIP3      OH2             5.6434205888      -15.0916279730       -8.9561924389  SOLV      299             0.0000000000
       929       302  TIP3      H1              4.8664005888      -15.3261379730       -9.4636024389  SOLV      299             0.0000000000
       930       302  TIP3      H2              6.1737805888      -15.8884179730       -8.9473924389  SOLV      299             0.0000000000
       931       303  TIP3      OH2             4.4797605888      -15.2938179730      -13.1525824389  SOLV      300             0.0000000000
       932       303  TIP3      H1              4.9188305888      -14.6827679730      -13.7442324389  SOLV      300             0.0000000000
       933       303  TIP3      H2              3.8460005888      -14.7554079730      -12.6785824389  SOLV      300             0.0000000000
       934       304  TIP3      OH2            10.2226805888      -15.1649179730       -9.1428824389  SOLV      301             0.0000000000
       935       304  TIP3      H1             11.0970205888      -14.7764879730       -9.1724524389  SOLV      301             0.0000000000
       936       304  TIP3      H2             10.0867605888      -15.3801379730       -8.2201624389  SOLV      301             0.0000000000
       937       305  TIP3      OH2            15.7795205888      -15.1349379730       -7.4937124389  SOLV      302             0.0000000000
       938       305  TIP3      H1             15.8556805888      -15.0397779730       -8.4431124389  SOLV      302             0.0000000000
       939       305  TIP3      H2             15.5044405888      -16.0426479730       -7.3648024389  SOLV      302             0.0000000000
       940       306  TIP3      OH2             4.3807105888        0.6544020270      -12.2550724389  SOLV      303             0.0000000000
       941       306  TIP3      H1              3.6957005888        0.6162920270      -12.9225624389  SOLV      303             0.0000000000
       942       306  TIP3      H2              4.3844305888        1.5671620270      -11.9668624389  SOLV      303             0.0000000000
       943       307  TIP3      OH2             6.3406705888      -13.3776679730      -14.7101724389  SOLV      304             0.0000000000
       944       307  TIP3      H1              6.8320105888      -14.0074279730      -15.2376224389  SOLV      304             0.0000000000
       945       307  TIP3      H2              6.9643005888      -13.0817279730      -14.0470524389  SOLV      304             0.0000000000
       946       308  TIP3      OH2            11.3666805888      -13.0845179730      -12.2531224389  SOLV      305             0.0000000000
       947       308  TIP3      H1             11.5448105888      -13.7311979730      -11.5702624389  SOLV      305             0.0000000000
       948       308  TIP3      H2             11.3133005888      -12.2507479730      -11.7860124389  SOLV      305             0.0000000000
       949       309  TIP3      OH2            13.2450605888        1.8638920270      -13.8574524389  SOLV      306             0.0000000000
       950       309  TIP3      H1             14.1110805888        2.2306320270      -14.0356324389  SOLV      306             0.0000000000
       951       309  TIP3      H2             12.9983405888        1.4246920270      -14.6713724389  SOLV      306             0.0000000000
       952       310  TIP3      OH2             5.6012205888      -14.5774379730        0.5614275611  SOLV      307             0.0000000000
       953       310  TIP3      H1              5.2350405888      -15.3431779730        1.0038975611  SOLV      307             0.0000000000
       954       310  TIP3      H2              6.5140705888      -14.5484179730        0.8479375611  SOLV      307             0.0000000000
       955       311  TIP3      OH2             7.5743005888      -15.2269979730        2.0971375611  SOLV      308             0.0000000000
       956       311  TIP3      H1              8.4726605888      -15.5009779730        1.9124775611  SOLV      308             0.0000000000
       957       311  TIP3      H2              7.1876105888      -15.9693979730        2.5613975611  SOLV      308             0.0000000000
       958       312  TIP3      OH2            -4.1343194112       12.9206020270       -8.9974424389  SOLV      309             0.0000000000
       959       312  TIP3      H1             -4.0452094112       13.8644220270       -9.1297324389  SOLV      309             0.0000000000
       960       312  TIP3      H2             -4.7725594112       12.6452420270       -9.6555024389  SOLV      309             0.0000000000
       961       313  TIP3      OH2           -12.8326894112       11.7898820270       -3.9856324389  SOLV      310             0.0000000000
       962       313  TIP3      H1            -12.7914794112       11.1642120270       -3.2623924389  SOLV      310             0.0000000000
       963       313  TIP3      H2            -12.1299194112       12.4137420270       -3.8035924389  SOLV      310             0.0000000000
       964       314  TIP3      OH2            -1.4951694112       15.1147120270       -7.2771124389  SOLV      311             0.0000000000
       965       314  TIP3      H1             -1.9358994112       14.3943120270       -6.8265524389  SOLV      311             0.0000000000
       966       314  TIP3      H2             -1.5081994112       15.8354320270       -6.6473424389  SOLV      311             0.0000000000
       967       315  TIP3      OH2           -15.2993294112        9.9000320270      -10.0578424389  SOLV      312             0.0000000000
       968       315  TIP3      H1            -15.7469894112       10.7459020270      -10.0761924389  SOLV      312             0.0000000000
       969       315  TIP3      H2            -15.8602094112        9.3204520270      -10.5733324389  SOLV      312             0.0000000000
       970       316  TIP3      OH2           -14.5887194112       12.0619920270       -7.9320424389  SOLV      313             0.0000000000
       971       316  TIP3      H1            -14.3753694112       11.2921520270       -7.4047424389  SOLV      313             0.0000000000
       972       316  TIP3      H2            -13.8509594112       12.1516620270       -8.5352824389  SOLV      313             0.0000000000
       973       317  TIP3      OH2             1.8512305888        6.2093420270       -4.3119024389  SOLV      314             0.0000000000
       974       317  TIP3      H1              1.9004505888        6.8194620270       -3.5759924389  SOLV      314             0.0000000000
       975       317  TIP3      H2              2.2767405888        6.6704320270       -5.0347924389  SOLV      314             0.0000000000
       976       318  TIP3      OH2            -3.6710494112        9.0020520270       -4.8450424389  SOLV      315             0.0000000000
       977       318  TIP3      H1             -3.5284594112        8.0557520270       -4.8248824389  SOLV      315             0.0000000000
       978       318  TIP3      H2             -3.7771494112        9.2090320270       -5.7735524389  SOLV      315             0.0000000000
       979       319  TIP3      OH2           -10.5162194112        7.1036920270       -7.5725624389  SOLV      316             0.0000000000
       980       319  TIP3      H1            -10.4731094112        7.9635420270       -7.9909324389  SOLV      316             0.0000000000
       981       319  TIP3      H2            -10.9738094112        6.5511620270       -8.2062424389  SOLV      316             0.0000000000
       982       320  TIP3      OH2            -2.7939494112        7.2342520270       -9.1717324389  SOLV      317             0.0000000000
       983       320  TIP3      H1             -2.1475194112        6.9055720270       -8.5469724389  SOLV      317             0.0000000000
       984       320  TIP3      H2             -2.2840094112        7.7521520270       -9.7945924389  SOLV      317             0.0000000000
       985       321  TIP3      OH2           -13.8960694112        9.5002720270       -6.8104224389  SOLV      318             0.0000000000
       986       321  TIP3      H1            -13.2424094112        8.9504420270       -6.3784124389  SOLV      318             0.0000000000
       987       321  TIP3      H2            -13.8721394112        9.2261720270       -7.7272224389  SOLV      318             0.0000000000
       988       322  TIP3      OH2            -8.7396194112       11.0504020270       -7.5952724389  SOLV      319             0.0000000000
       989       322  TIP3      H1             -8.1235194112       10.5239420270       -7.0858724389  SOLV      319             0.0000000000
       990       322  TIP3      H2             -9.3257394112       10.4102720270       -7.9989124389  SOLV      319             0.0000000000
       991       323  TIP3      OH2             2.2426905888        7.6872620270       -2.0759224389  SOLV      320             0.0000000000
       992       323  TIP3      H1              1.5541505888        8.3453320270       -2.1712624389  SOLV      320             0.0000000000
       993       323  TIP3      H2              2.2581505888        7.4900520270       -1.1393824389  SOLV      320             0.0000000000
       994       324  TIP3      OH2           -11.7060294112        6.0215320270       -3.4984824389  SOLV      321             0.0000000000
       995       324  TIP3      H1            -11.9248594112        6.5515920270       -4.2648824389  SOLV      321             0.0000000000
       996       324  TIP3      H2            -12.3739394112        6.2480820270       -2.8513424389  SOLV      321             0.0000000000
       997       325  TIP3      OH2            -9.1368894112       13.6971020270       -3.2111124389  SOLV      322             0.0000000000
       998       325  TIP3      H1             -9.8769794112       14.2952520270       -3.1075924389  SOLV      322             0.0000000000
       999       325  TIP3      H2             -8.4229394112       14.2510620270       -3.5267524389  SOLV      322             0.0000000000
      1000       326  TIP3      OH2            -1.0301094112        6.5251820270       -7.1911424389  SOLV      323             0.0000000000
      1001       326  TIP3      H1             -1.2453094112        5.7595220270       -6.6585424389  SOLV      323             0.0000000000
      1002       326  TIP3      H2             -0.3743694112        6.9976420270       -6.6782924389  SOLV      323             0.0000000000
      1003       327  TIP3      OH2           -12.1122994112        7.9137120270       -5.5462624389  SOLV      324             0.0000000000
      1004       327  TIP3      H1            -11.4986694112        8.5464720270       -5.1730224389  SOLV      324             0.0000000000
      1005       327  TIP3      H2            -11.6002294112        7.4412120270       -6.2025724389  SOLV      324             0.0000000000
      1006       328  TIP3      OH2           -14.6083694112       15.3321920270      -11.6420324389  SOLV      325             0.0000000000
      1007       328  TIP3      H1            -14.8802794112       15.5612920270      -12.5307424389  SOLV      325             0.0000000000
      1008       328  TIP3      H2            -14.5627994112       16.1700720270      -11.1815024389  SOLV      325             0.0000000000
      1009       329  TIP3      OH2            -0.6826994112        5.2403120270       -3.5117924389  SOLV      326             0.0000000000
      1010       329  TIP3      H1             -1.4187794112        5.8510220270       -3.5496624389  SOLV      326             0.0000000000
      1011       329  TIP3      H2              0.0007005888        5.6552120270       -4.0381524389  SOLV      326             0.0000000000
      1012       330  TIP3      OH2            -7.6795594112        3.3270420270       -6.0459924389  SOLV      327             0.0000000000
      1013       330  TIP3      H1             -7.7971394112        2.3786420270       -6.1001624389  SOLV      327             0.0000000000
      1014       330  TIP3      H2             -8.5345494112        3.6596520270       -5.7728824389  SOLV      327             0.0000000000
      1015       331  TIP3      OH2             0.1143905888       15.2026520270       -1.3180124389  SOLV      328             0.0000000000
      1016       331  TIP3      H1              0.2540205888       14.6109020270       -2.0573124389  SOLV      328             0.0000000000
      1017       331  TIP3      H2              0.2816705888       16.0752420270       -1.6741324389  SOLV      328             0.0000000000
      1018       332  TIP3      OH2            -5.3591494112       10.6220320270      -14.5069124389  SOLV      329             0.0000000000
      1019       332  TIP3      H1             -4.6581594112       10.6447220270      -13.8555124389  SOLV      329             0.0000000000
      1020       332  TIP3      H2             -5.0568594112        9.9940020270      -15.1629824389  SOLV      329             0.0000000000
      1021       333  TIP3      OH2             1.9563205888       11.5424520270       -3.2519724389  SOLV      330             0.0000000000
      1022       333  TIP3      H1              1.3037305888       12.2370120270       -3.1628824389  SOLV      330             0.0000000000
      1023       333  TIP3      H2              2.4213505888       11.7525420270       -4.0618124389  SOLV      330             0.0000000000
      1024       334  TIP3      OH2            -2.0072994112       12.3739320270      -10.5938224389  SOLV      331             0.0000000000
      1025       334  TIP3      H1             -2.7391994112       12.6023020270      -10.0207624389  SOLV      331             0.0000000000
      1026       334  TIP3      H2             -1.5600794112       11.6602020270      -10.1390724389  SOLV      331             0.0000000000
      1027       335  TIP3      OH2            -2.1099494112       10.5481920270       -1.5261224389  SOLV      332             0.0000000000
      1028       335  TIP3      H1             -2.0300394112       11.3116320270       -0.9542724389  SOLV      332             0.0000000000
      1029       335  TIP3      H2             -2.7111794112       10.8274320270       -2.2166124389  SOLV      332             0.0000000000
      1030       336  TIP3      OH2           -10.3619294112       13.0045520270       -8.7113224389  SOLV      333             0.0000000000
      1031       336  TIP3      H1            -10.6924094112       12.6338920270       -9.5296224389  SOLV      333             0.0000000000
      1032       336  TIP3      H2             -9.7735194112       12.3339520270       -8.3644924389  SOLV      333             0.0000000000
      1033       337  TIP3      OH2            -9.9953794112       11.7731120270       -5.0778224389  SOLV      334             0.0000000000
      1034       337  TIP3      H1             -9.4301294112       11.8945320270       -5.8407024389  SOLV      334             0.0000000000
      1035       337  TIP3      H2             -9.6764894112       12.4106120270       -4.4389724389  SOLV      334             0.0000000000
      1036       338  TIP3      OH2            -3.1363494112       11.5362220270      -12.9087024389  SOLV      335             0.0000000000
      1037       338  TIP3      H1             -2.5567994112       11.6862520270      -12.1618124389  SOLV      335             0.0000000000
      1038       338  TIP3      H2             -2.7223494112       12.0069620270      -13.6320624389  SOLV      335             0.0000000000
      1039       339  TIP3      OH2           -12.1953194112       12.3704920270       -1.1320624389  SOLV      336             0.0000000000
      1040       339  TIP3      H1            -12.1249994112       13.0211720270       -0.4335624389  SOLV      336             0.0000000000
      1041       339  TIP3      H2            -13.0860994112       12.4732420270       -1.4669724389  SOLV      336             0.0000000000
      1042       340  TIP3      OH2             0.5624905888        3.2862620270      -13.0957324389  SOLV      337             0.0000000000
      1043       340  TIP3      H1             -0.3374394112        3.4251620270      -12.8006724389  SOLV      337             0.0000000000
      1044       340  TIP3      H2              0.8143305888        4.1177220270      -13.4975624389  SOLV      337             0.0000000000
      1045       341  TIP3      OH2           -11.3716594112       12.0739820270      -11.1220424389  SOLV      338             0.0000000000
      1046       341  TIP3      H1            -11.6635294112       12.8421520270      -11.6129124389  SOLV      338             0.0000000000
      1047       341  TIP3      H2            -12.0461394112       11.4146020270      -11.2849024389  SOLV      338             0.0000000000
      1048       342  TIP3      OH2           -15.2786494112       14.4369020270       -2.3070624389  SOLV      339             0.0000000000
      1049       342  TIP3      H1            -15.7798094112       14.4088420270       -3.1220924389  SOLV      339             0.0000000000
      1050       342  TIP3      H2            -15.2732794112       13.5312220270       -1.9973324389  SOLV      339             0.0000000000
      1051       343  TIP3      OH2            -0.1785494112        9.3765020270        0.7395475611  SOLV      340             0.0000000000
      1052       343  TIP3      H1             -0.5858694112        9.8570620270        0.0188775611  SOLV      340             0.0000000000
      1053       343  TIP3      H2             -0.1379794112        8.4711020270        0.4316275611  SOLV      340             0.0000000000
      1054       344  TIP3      OH2           -13.0295994112       15.7604420270       -1.2637824389  SOLV      341             0.0000000000
      1055       344  TIP3      H1            -12.8134694112       15.3990020270       -0.4042024389  SOLV      341             0.0000000000
      1056       344  TIP3      H2            -13.8851294112       15.3858220270       -1.4734324389  SOLV      341             0.0000000000
      1057       345  TIP3      OH2           -10.4107994112        4.2304920270       -5.2683624389  SOLV      342             0.0000000000
      1058       345  TIP3      H1            -11.2724294112        4.1433120270       -5.6760724389  SOLV      342             0.0000000000
      1059       345  TIP3      H2            -10.4332294112        5.0865020270       -4.8406024389  SOLV      342             0.0000000000
      1060       346  TIP3      OH2            -5.7480194112        3.9525320270       -1.8936624389  SOLV      343             0.0000000000
      1061       346  TIP3      H1             -5.3277094112        3.5372420270       -1.1406024389  SOLV      343             0.0000000000
      1062       346  TIP3      H2             -6.6810594112        3.7738620270       -1.7764624389  SOLV      343             0.0000000000
      1063       347  TIP3      OH2            -2.4215294112        7.7080520270       -1.0402124389  SOLV      344             0.0000000000
      1064       347  TIP3      H1             -2.9355794112        7.5822720270       -0.2426124389  SOLV      344             0.0000000000
      1065       347  TIP3      H2             -2.5770594112        8.6203620270       -1.2845924389  SOLV      344             0.0000000000
      1066       348  TIP3      OH2            -1.6590394112       12.5690520270      -15.2789124389  SOLV      345             0.0000000000
      1067       348  TIP3      H1             -1.6169594112       12.3464420270      -16.2089124389  SOLV      345             0.0000000000
      1068       348  TIP3      H2             -0.8098294112       12.9677620270      -15.0889224389  SOLV      345             0.0000000000
      1069       349  TIP3      OH2           -10.3197894112        9.1959420270       -4.1733424389  SOLV      346             0.0000000000
      1070       349  TIP3      H1            -10.9615794112        9.1556720270       -3.4643324389  SOLV      346             0.0000000000
      1071       349  TIP3      H2            -10.2825894112       10.1224120270       -4.4110424389  SOLV      346             0.0000000000
      1072       350  TIP3      OH2           -10.3228794112        9.4169520270       -9.2613424389  SOLV      347             0.0000000000
      1073       350  TIP3      H1            -11.2155894112        9.0765620270       -9.3199624389  SOLV      347             0.0000000000
      1074       350  TIP3      H2             -9.8722194112        9.0400420270      -10.0170224389  SOLV      347             0.0000000000
      1075       351  TIP3      OH2            -4.7873294112        9.8329820270      -10.4442624389  SOLV      348             0.0000000000
      1076       351  TIP3      H1             -5.1962994112       10.6478420270      -10.7357824389  SOLV      348             0.0000000000
      1077       351  TIP3      H2             -4.0667094112        9.6929920270      -11.0585524389  SOLV      348             0.0000000000
      1078       352  TIP3      OH2            -5.6851694112       10.0086220270        1.0438075611  SOLV      349             0.0000000000
      1079       352  TIP3      H1             -6.2477894112        9.3037820270        1.3645875611  SOLV      349             0.0000000000
      1080       352  TIP3      H2             -4.8588294112        9.8878120270        1.5115675611  SOLV      349             0.0000000000
      1081       353  TIP3      OH2            -3.7825594112        9.2790220270       -7.6302924389  SOLV      350             0.0000000000
      1082       353  TIP3      H1             -3.9781094112        9.8847020270       -8.3452324389  SOLV      350             0.0000000000
      1083       353  TIP3      H2             -3.6012994112        8.4455420270       -8.0646624389  SOLV      350             0.0000000000
      1084       354  TIP3      OH2           -12.5697394112        9.5162920270       -2.3061424389  SOLV      351             0.0000000000
      1085       354  TIP3      H1            -12.6077994112        9.9164520270       -1.4374324389  SOLV      351             0.0000000000
      1086       354  TIP3      H2            -13.0606294112        8.6995320270       -2.2158524389  SOLV      351             0.0000000000
      1087       355  TIP3      OH2            -9.2039994112        6.8905220270      -15.5075424389  SOLV      352             0.0000000000
      1088       355  TIP3      H1             -9.6349294112        6.4455320270      -14.7778024389  SOLV      352             0.0000000000
      1089       355  TIP3      H2             -9.9221294112        7.2621520270      -16.0197924389  SOLV      352             0.0000000000
      1090       356  TIP3      OH2           -15.9616594112        6.6324720270       -8.4556724389  SOLV      353             0.0000000000
      1091       356  TIP3      H1            -15.3308894112        6.6036820270       -7.7362824389  SOLV      353             0.0000000000
      1092       356  TIP3      H2            -15.5122294112        6.2073420270       -9.1860824389  SOLV      353             0.0000000000
      1093       357  TIP3      OH2           -14.6874494112        7.3786720270      -13.0316324389  SOLV      354             0.0000000000
      1094       357  TIP3      H1            -14.2132794112        7.9696620270      -13.6165424389  SOLV      354             0.0000000000
      1095       357  TIP3      H2            -15.4048094112        7.9089620270      -12.6846224389  SOLV      354             0.0000000000
      1096       358  TIP3      OH2            -4.5186394112       10.9171520270       -2.9590524389  SOLV      355             0.0000000000
      1097       358  TIP3      H1             -4.1951594112       10.2861220270       -3.6020024389  SOLV      355             0.0000000000
      1098       358  TIP3      H2             -4.9587094112       10.3823720270       -2.2983124389  SOLV      355             0.0000000000
      1099       359  TIP3      OH2            -7.7413494112        6.8447020270       -8.1749324389  SOLV      356             0.0000000000
      1100       359  TIP3      H1             -8.6522394112        6.9013820270       -7.8863324389  SOLV      356             0.0000000000
      1101       359  TIP3      H2             -7.2360594112        6.7842520270       -7.3642124389  SOLV      356             0.0000000000
      1102       360  TIP3      OH2           -12.9130094112        8.4733320270       -9.3481724389  SOLV      357             0.0000000000
      1103       360  TIP3      H1            -13.8022094112        8.5728820270       -9.6882124389  SOLV      357             0.0000000000
      1104       360  TIP3      H2            -12.6165194112        7.6316320270       -9.6943824389  SOLV      357             0.0000000000
      1105       361  TIP3      OH2            -9.2598294112        8.4735920270      -11.6917124389  SOLV      358             0.0000000000
      1106       361  TIP3      H1             -8.3282794112        8.6025920270      -11.5134024389  SOLV      358             0.0000000000
      1107       361  TIP3      H2             -9.4747994112        9.1430220270      -12.3412424389  SOLV      358             0.0000000000
      1108       362  TIP3      OH2           -10.5858094112        9.6678120270      -14.1251024389  SOLV      359             0.0000000000
      1109       362  TIP3      H1            -11.1282994112        9.2881920270      -14.8163424389  SOLV      359             0.0000000000
      1110       362  TIP3      H2             -9.7523194112        9.8622820270      -14.5536924389  SOLV      359             0.0000000000
      1111       363  TIP3      OH2            -6.4213794112        9.6320020270       -6.2879724389  SOLV      360             0.0000000000
      1112       363  TIP3      H1             -5.8570394112        9.0856620270       -6.8350124389  SOLV      360             0.0000000000
      1113       363  TIP3      H2             -6.5690394112        9.1101920270       -5.4992124389  SOLV      360             0.0000000000
      1114       364  TIP3      OH2           -11.4194094112        5.7686120270       -9.8694924389  SOLV      361             0.0000000000
      1115       364  TIP3      H1            -11.7364594112        4.8661420270       -9.9049524389  SOLV      361             0.0000000000
      1116       364  TIP3      H2            -10.6379994112        5.7703520270      -10.4223324389  SOLV      361             0.0000000000
      1117       365  TIP3      OH2            -7.7947894112        8.0206120270       -3.8739324389  SOLV      362             0.0000000000
      1118       365  TIP3      H1             -8.6302594112        8.4745620270       -3.7636924389  SOLV      362             0.0000000000
      1119       365  TIP3      H2             -7.2707294112        8.2964620270       -3.1219424389  SOLV      362             0.0000000000
      1120       366  TIP3      OH2            -0.1006394112       13.3662020270       -3.4025324389  SOLV      363             0.0000000000
      1121       366  TIP3      H1              0.5412405888       13.8228320270       -3.9463124389  SOLV      363             0.0000000000
      1122       366  TIP3      H2             -0.9309494112       13.4794420270       -3.8651224389  SOLV      363             0.0000000000
      1123       367  TIP3      OH2            -2.6344994112        8.9146420270      -12.3292924389  SOLV      364             0.0000000000
      1124       367  TIP3      H1             -1.7425994112        8.7771420270      -12.0101724389  SOLV      364             0.0000000000
      1125       367  TIP3      H2             -2.5781394112        9.7052520270      -12.8659424389  SOLV      364             0.0000000000
      1126       368  TIP3      OH2           -12.1256994112       13.5283820270       -6.4195024389  SOLV      365             0.0000000000
      1127       368  TIP3      H1            -11.3809794112       13.5259520270       -7.0208524389  SOLV      365             0.0000000000
      1128       368  TIP3      H2            -12.0480394112       12.7047620270       -5.9379924389  SOLV      365             0.0000000000
      1129       369  TIP3      OH2           -15.1177294112       11.9890720270       -1.1046524389  SOLV      366             0.0000000000
      1130       369  TIP3      H1            -14.8948694112       11.5710320270       -0.2729024389  SOLV      366             0.0000000000
      1131       369  TIP3      H2            -15.7197194112       11.3765720270       -1.5273724389  SOLV      366             0.0000000000
      1132       370  TIP3      OH2             2.2503705888        9.1240520270      -12.6346224389  SOLV      367             0.0000000000
      1133       370  TIP3      H1              1.6960005888        8.7278520270      -13.3068724389  SOLV      367             0.0000000000
      1134       370  TIP3      H2              2.3507305888       10.0345720270      -12.9122924389  SOLV      367             0.0000000000
      1135       371  TIP3      OH2             2.2135705888       14.9242220270        0.2025275611  SOLV      368             0.0000000000
      1136       371  TIP3      H1              1.3624205888       15.1626020270       -0.1648324389  SOLV      368             0.0000000000
      1137       371  TIP3      H2              2.8039105888       14.9075420270       -0.5507624389  SOLV      368             0.0000000000
      1138       372  TIP3      OH2            -2.2940694112       12.7180420270       -5.1482224389  SOLV      369             0.0000000000
      1139       372  TIP3      H1             -3.2223794112       12.4862320270       -5.1752924389  SOLV      369             0.0000000000
      1140       372  TIP3      H2             -1.8429594112       11.9410220270       -5.4783424389  SOLV      369             0.0000000000
      1141       373  TIP3      OH2           -13.9959894112       11.9086120270      -14.4281124389  SOLV      370             0.0000000000
      1142       373  TIP3      H1            -13.3799994112       12.5353320270      -14.0486324389  SOLV      370             0.0000000000
      1143       373  TIP3      H2            -14.8577294112       12.2245920270      -14.1564624389  SOLV      370             0.0000000000
      1144       374  TIP3      OH2            -8.3235294112       14.7091920270       -9.4389224389  SOLV      371             0.0000000000
      1145       374  TIP3      H1             -8.5645294112       15.6346320270       -9.3973924389  SOLV      371             0.0000000000
      1146       374  TIP3      H2             -9.0641694112       14.2503220270       -9.0425324389  SOLV      371             0.0000000000
      1147       375  TIP3      OH2            -4.2647894112       14.9576220270       -3.4232524389  SOLV      372             0.0000000000
      1148       375  TIP3      H1             -4.6906594112       14.7297920270       -2.5968524389  SOLV      372             0.0000000000
      1149       375  TIP3      H2             -3.6842094112       14.2188020270       -3.6057224389  SOLV      372             0.0000000000
      1150       376  TIP3      OH2            -2.0618994112       15.8866720270      -14.3493524389  SOLV      373             0.0000000000
      1151       376  TIP3      H1             -1.7085894112       15.5066520270      -13.5450024389  SOLV      373             0.0000000000
      1152       376  TIP3      H2             -3.0105494112       15.7931520270      -14.2624224389  SOLV      373             0.0000000000
      1153       377  TIP3      OH2           -13.4837794112        6.7423420270       -1.5465124389  SOLV      374             0.0000000000
      1154       377  TIP3      H1            -14.3765494112        7.0808820270       -1.6141124389  SOLV      374             0.0000000000
      1155       377  TIP3      H2            -13.5824994112        5.8869520270       -1.1284324389  SOLV      374             0.0000000000
      1156       378  TIP3      OH2            -1.1959694112       14.5588720270      -12.1225624389  SOLV      375             0.0000000000
      1157       378  TIP3      H1             -1.4732094112       13.8308020270      -11.5664524389  SOLV      375             0.0000000000
      1158       378  TIP3      H2             -0.2686694112       14.6780720270      -11.9173024389  SOLV      375             0.0000000000
      1159       379  TIP3      OH2           -12.5809494112       13.8209920270      -12.9355524389  SOLV      376             0.0000000000
      1160       379  TIP3      H1            -13.2670194112       14.1732420270      -12.3685824389  SOLV      376             0.0000000000
      1161       379  TIP3      H2            -12.0581594112       14.5839520270      -13.1821224389  SOLV      376             0.0000000000
      1162       380  TIP3      OH2            -4.7494394112        6.4833720270       -2.6566524389  SOLV      377             0.0000000000
      1163       380  TIP3      H1             -4.0506494112        6.5572420270       -2.0066824389  SOLV      377             0.0000000000
      1164       380  TIP3      H2             -5.1302994112        5.6188720270       -2.5023624389  SOLV      377             0.0000000000
      1165       381  TIP3      OH2            -6.7649594112        7.8634220270      -10.7245824389  SOLV      378             0.0000000000
      1166       381  TIP3      H1             -5.9526994112        8.3677420270      -10.6784124389  SOLV      378             0.0000000000
      1167       381  TIP3      H2             -7.0096594112        7.7183920270       -9.8106224389  SOLV      378             0.0000000000
      1168       382  TIP3      OH2            -6.2293194112        8.8496920270       -1.5399224389  SOLV      379             0.0000000000
      1169       382  TIP3      H1             -6.1102894112        9.4232320270       -0.7828824389  SOLV      379             0.0000000000
      1170       382  TIP3      H2             -5.5738594112        8.1616320270       -1.4251424389  SOLV      379             0.0000000000
      1171       383  TIP3      OH2            -5.8812894112        4.9447220270       -9.7864724389  SOLV      380             0.0000000000
      1172       383  TIP3      H1             -6.2279394112        5.5617820270       -9.1420424389  SOLV      380             0.0000000000
      1173       383  TIP3      H2             -5.2225994112        5.4452920270      -10.2679224389  SOLV      380             0.0000000000
      1174       384  TIP3      OH2           -10.2235894112        6.0076620270      -13.0992224389  SOLV      381             0.0000000000
      1175       384  TIP3      H1            -10.3071094112        6.8959720270      -12.7525824389  SOLV      381             0.0000000000
      1176       384  TIP3      H2             -9.3335594112        5.7423320270      -12.8675424389  SOLV      381             0.0000000000
      1177       385  TIP3      OH2            -0.0247394112        6.7567220270       -0.7049524389  SOLV      382             0.0000000000
      1178       385  TIP3      H1             -0.9411594112        7.0188920270       -0.7925824389  SOLV      382             0.0000000000
      1179       385  TIP3      H2              0.3107605888        6.7536220270       -1.6014224389  SOLV      382             0.0000000000
      1180       386  TIP3      OH2            -1.4226394112       10.5068220270       -6.6092224389  SOLV      383             0.0000000000
      1181       386  TIP3      H1             -2.2201994112       10.0918420270       -6.9377224389  SOLV      383             0.0000000000
      1182       386  TIP3      H2             -0.9775294112        9.8161920270       -6.1181724389  SOLV      383             0.0000000000
      1183       387  TIP3      OH2           -13.6491394112        9.0991820270      -14.9228324389  SOLV      384             0.0000000000
      1184       387  TIP3      H1            -13.6938794112       10.0384920270      -14.7441324389  SOLV      384             0.0000000000
      1185       387  TIP3      H2            -14.5368194112        8.8636720270      -15.1926224389  SOLV      384             0.0000000000
      1186       388  TIP3      OH2           -12.8409394112        3.8808420270       -6.2497324389  SOLV      385             0.0000000000
      1187       388  TIP3      H1            -13.0699594112        3.9400920270       -7.1772324389  SOLV      385             0.0000000000
      1188       388  TIP3      H2            -13.2835994112        3.0893920270       -5.9433224389  SOLV      385             0.0000000000
      1189       389  TIP3      OH2           -10.3739194112       14.5879020270      -15.6724624389  SOLV      386             0.0000000000
      1190       389  TIP3      H1            -10.3095094112       13.7938620270      -15.1418224389  SOLV      386             0.0000000000
      1191       389  TIP3      H2             -9.7209994112       14.4691820270      -16.3622624389  SOLV      386             0.0000000000
      1192       390  TIP3      OH2            -8.0596794112       14.2141420270        1.6277175611  SOLV      387             0.0000000000
      1193       390  TIP3      H1             -8.3882994112       14.4849520270        0.7704575611  SOLV      387             0.0000000000
      1194       390  TIP3      H2             -7.9078594112       13.2731220270        1.5402175611  SOLV      387             0.0000000000
      1195       391  TIP3      OH2            -5.0215794112       15.6350720270      -15.9366624389  SOLV      388             0.0000000000
      1196       391  TIP3      H1             -5.2901694112       15.8152820270      -15.0357724389  SOLV      388             0.0000000000
      1197       391  TIP3      H2             -5.2280194112       14.7096920270      -16.0680824389  SOLV      388             0.0000000000
      1198       392  TIP3      OH2            -2.3251594112       14.1298720270       -0.9890524389  SOLV      389             0.0000000000
      1199       392  TIP3      H1             -1.5796794112       14.7182420270       -1.1086524389  SOLV      389             0.0000000000
      1200       392  TIP3      H2             -3.0824794112       14.7118420270       -0.9257424389  SOLV      389             0.0000000000
      1201       393  TIP3      OH2           -13.8826394112       11.4446620270        1.6150075611  SOLV      390             0.0000000000
      1202       393  TIP3      H1            -13.4745194112       10.5873220270        1.4940675611  SOLV      390             0.0000000000
      1203       393  TIP3      H2            -14.1428794112       11.4587920270        2.5360375611  SOLV      390             0.0000000000
      1204       394  TIP3      OH2            -9.2245394112       12.5605220270      -13.3666624389  SOLV      391             0.0000000000
      1205       394  TIP3      H1             -9.6843394112       12.0763520270      -12.6808124389  SOLV      391             0.0000000000
      1206       394  TIP3      H2             -8.9696694112       11.8920620270      -14.0026124389  SOLV      391             0.0000000000
      1207       395  TIP3      OH2            -9.9356094112       10.4532320270       -1.0107024389  SOLV      392             0.0000000000
      1208       395  TIP3      H1            -10.5539994112       11.1278920270       -0.7302324389  SOLV      392             0.0000000000
      1209       395  TIP3      H2             -9.5914894112       10.7746220270       -1.8440824389  SOLV      392             0.0000000000
      1210       396  TIP3      OH2            -8.1534994112       10.8037020270      -15.1043424389  SOLV      393             0.0000000000
      1211       396  TIP3      H1             -8.3339994112       10.6488220270      -16.0315124389  SOLV      393             0.0000000000
      1212       396  TIP3      H2             -7.2034494112       10.9115720270      -15.0595524389  SOLV      393             0.0000000000
      1213       397  TIP3      OH2            -4.9157894112       12.9247620270        2.2667775611  SOLV      394             0.0000000000
      1214       397  TIP3      H1             -3.9626694112       13.0086720270        2.2393775611  SOLV      394             0.0000000000
      1215       397  TIP3      H2             -5.0763294112       12.2129420270        2.8862675611  SOLV      394             0.0000000000
      1216       398  TIP3      OH2            -9.5962394112        7.8083120270        0.0716075611  SOLV      395             0.0000000000
      1217       398  TIP3      H1             -9.4461494112        7.0794420270       -0.5304224389  SOLV      395             0.0000000000
      1218       398  TIP3      H2             -9.5939994112        8.5854820270       -0.4871724389  SOLV      395             0.0000000000
      1219       399  TIP3      OH2            -9.1836694112        6.1778920270       -2.4356524389  SOLV      396             0.0000000000
      1220       399  TIP3      H1             -8.6479194112        6.6295620270       -3.0877224389  SOLV      396             0.0000000000
      1221       399  TIP3      H2            -10.0357094112        6.0698720270       -2.8582424389  SOLV      396             0.0000000000
      1222       400  TIP3      OH2            -3.1862094112        9.4326920270        2.8323975611  SOLV      397             0.0000000000
      1223       400  TIP3      H1             -2.9940794112        8.5016320270        2.7208475611  SOLV      397             0.0000000000
      1224       400  TIP3      H2             -2.3285794112        9.8576420270        2.8219375611  SOLV      397             0.0000000000
      1225       401  TIP3      OH2            -1.8694894112       12.2212120270        0.9096675611  SOLV      398             0.0000000000
      1226       401  TIP3      H1             -2.1509894112       12.9306720270        0.3320475611  SOLV      398             0.0000000000
      1227       401  TIP3      H2             -0.9270594112       12.1485120270        0.7587875611  SOLV      398             0.0000000000
      1228       402  TIP3      OH2           -11.1176094112        9.0066620270        1.9831675611  SOLV      399             0.0000000000
      1229       402  TIP3      H1            -11.8847094112        8.4741420270        1.7729275611  SOLV      399             0.0000000000
      1230       402  TIP3      H2            -10.4387094112        8.6967020270        1.3837975611  SOLV      399             0.0000000000
      1231       403  TIP3      OH2            -8.3781194112        3.6344620270       -2.0042924389  SOLV      400             0.0000000000
      1232       403  TIP3      H1             -8.4761594112        4.5807820270       -2.1096724389  SOLV      400             0.0000000000
      1233       403  TIP3      H2             -9.1204994112        3.2618420270       -2.4799424389  SOLV      400             0.0000000000
      1234       404  TIP3      OH2            -7.1140694112        7.9560020270        1.5595475611  SOLV      401             0.0000000000
      1235       404  TIP3      H1             -7.3495294112        7.7366720270        2.4610375611  SOLV      401             0.0000000000
      1236       404  TIP3      H2             -7.8973794112        7.7491220270        1.0497975611  SOLV      401             0.0000000000
      1237       405  TIP3      OH2            -4.3984094112        7.0833520270        0.6348975611  SOLV      402             0.0000000000
      1238       405  TIP3      H1             -5.3458694112        7.1153220270        0.7672275611  SOLV      402             0.0000000000
      1239       405  TIP3      H2             -4.0857394112        6.4580620270        1.2887175611  SOLV      402             0.0000000000
      1240       406  TIP3      OH2            -2.7642594112        5.7174620270        2.6400875611  SOLV      403             0.0000000000
      1241       406  TIP3      H1             -2.8610794112        4.7651920270        2.6342775611  SOLV      403             0.0000000000
      1242       406  TIP3      H2             -3.0859494112        5.9861420270        3.5006375611  SOLV      403             0.0000000000
      1243       407  TIP3      OH2           -12.9373294112        6.9270420270        1.6876375611  SOLV      404             0.0000000000
      1244       407  TIP3      H1            -12.7255894112        6.2206520270        1.0773875611  SOLV      404             0.0000000000
      1245       407  TIP3      H2            -13.0485794112        6.4896420270        2.5317575611  SOLV      404             0.0000000000
      1246       408  TIP3      OH2            -8.1563094112        2.9282020270        0.6669875611  SOLV      405             0.0000000000
      1247       408  TIP3      H1             -7.4444694112        2.2884220270        0.6528975611  SOLV      405             0.0000000000
      1248       408  TIP3      H2             -8.2572694112        3.1950320270       -0.2467024389  SOLV      405             0.0000000000
      1249       409  TIP3      OH2            -7.8025594112        4.6110420270        2.7206175611  SOLV      406             0.0000000000
      1250       409  TIP3      H1             -7.9343394112        4.1354220270        1.9004675611  SOLV      406             0.0000000000
      1251       409  TIP3      H2             -8.4018194112        5.3554020270        2.6653275611  SOLV      406             0.0000000000
      1252       410  TIP3      OH2             1.6946105888       14.0269320270      -11.6834924389  SOLV      407             0.0000000000
      1253       410  TIP3      H1              2.5447505888       14.4480220270      -11.5563324389  SOLV      407             0.0000000000
      1254       410  TIP3      H2              1.7001205888       13.2869420270      -11.0763524389  SOLV      407             0.0000000000
      1255       411  TIP3      OH2             2.0891705888       12.0806720270       -9.8599224389  SOLV      408             0.0000000000
      1256       411  TIP3      H1              1.3626305888       11.6009320270       -9.4621624389  SOLV      408             0.0000000000
      1257       411  TIP3      H2              2.6705005888       12.2861420270       -9.1277624389  SOLV      408             0.0000000000
      1258       412  TIP3      OH2             1.8482905888       14.8654220270       -4.9121624389  SOLV      409             0.0000000000
      1259       412  TIP3      H1              2.6817105888       14.4874220270       -5.1928024389  SOLV      409             0.0000000000
      1260       412  TIP3      H2              1.9603205888       15.8085420270       -5.0312524389  SOLV      409             0.0000000000
      1261       413  TIP3      OH2             2.3574805888       11.9815220270      -13.4687924389  SOLV      410             0.0000000000
      1262       413  TIP3      H1              1.8355905888       12.3379320270      -14.1877024389  SOLV      410             0.0000000000
      1263       413  TIP3      H2              2.3244005888       12.6563020270      -12.7907024389  SOLV      410             0.0000000000
      1264       414  TIP3      OH2            -0.1241494112       10.6013220270       -9.2970524389  SOLV      411             0.0000000000
      1265       414  TIP3      H1             -0.2742694112        9.6561820270       -9.3172724389  SOLV      411             0.0000000000
      1266       414  TIP3      H2             -0.4776994112       10.8824620270       -8.4531424389  SOLV      411             0.0000000000
      1267       415  TIP3      OH2           -15.0889094112       12.6795420270       -5.2866724389  SOLV      412             0.0000000000
      1268       415  TIP3      H1            -14.9046194112       12.5977120270       -6.2223824389  SOLV      412             0.0000000000
      1269       415  TIP3      H2            -14.2396194112       12.5552420270       -4.8630324389  SOLV      412             0.0000000000
      1270       416  TIP3      OH2             0.7321405888       12.5716520270        0.3417775611  SOLV      413             0.0000000000
      1271       416  TIP3      H1              1.3148705888       11.8368820270        0.5334975611  SOLV      413             0.0000000000
      1272       416  TIP3      H2              1.2960705888       13.3436820270        0.3883575611  SOLV      413             0.0000000000
      1273       417  TIP3      OH2             2.2288505888       10.4742320270        1.0263175611  SOLV      414             0.0000000000
      1274       417  TIP3      H1              1.3655205888       10.0954420270        0.8607875611  SOLV      414             0.0000000000
      1275       417  TIP3      H2              2.8332205888        9.7357120270        0.9518975611  SOLV      414             0.0000000000
      1276       418  TIP3      OH2            -0.4136694112        8.1839020270      -10.8345424389  SOLV      415             0.0000000000
      1277       418  TIP3      H1             -0.1339594112        7.2769420270      -10.7103724389  SOLV      415             0.0000000000
      1278       418  TIP3      H2              0.3455005888        8.6180520270      -11.2236224389  SOLV      415             0.0000000000
      1279       419  TIP3      OH2             0.1981605888        8.7656420270       -5.3986524389  SOLV      416             0.0000000000
      1280       419  TIP3      H1              1.1309605888        8.9776320270       -5.4330524389  SOLV      416             0.0000000000
      1281       419  TIP3      H2             -0.0370894112        8.8668520270       -4.4763524389  SOLV      416             0.0000000000
      1282       420  TIP3      OH2             0.2273505888        9.5021720270       -2.6227124389  SOLV      417             0.0000000000
      1283       420  TIP3      H1             -0.6155194112        9.7702120270       -2.2567324389  SOLV      417             0.0000000000
      1284       420  TIP3      H2              0.6697805888       10.3243620270       -2.8336024389  SOLV      417             0.0000000000
      1285       421  TIP3      OH2           -15.4914294112        7.9500420270        0.8542075611  SOLV      418             0.0000000000
      1286       421  TIP3      H1            -14.5719394112        7.8278720270        1.0905175611  SOLV      418             0.0000000000
      1287       421  TIP3      H2            -15.9409794112        7.2000120270        1.2435575611  SOLV      418             0.0000000000
      1288       422  TIP3      OH2             2.5105105888        3.4821920270        2.7307875611  SOLV      419             0.0000000000
      1289       422  TIP3      H1              2.8602105888        2.8285420270        2.1252575611  SOLV      419             0.0000000000
      1290       422  TIP3      H2              2.6574605888        4.3196020270        2.2910475611  SOLV      419             0.0000000000
      1291       423  TIP3      OH2             0.1998105888        5.4468320270      -10.7863424389  SOLV      420             0.0000000000
      1292       423  TIP3      H1              0.3823105888        4.9979820270       -9.9608424389  SOLV      420             0.0000000000
      1293       423  TIP3      H2             -0.3998994112        4.8622720270      -11.2498824389  SOLV      420             0.0000000000
      1294       424  TIP3      OH2           -14.2701794112        6.2622020270       -6.2545024389  SOLV      421             0.0000000000
      1295       424  TIP3      H1            -13.8250194112        5.4704520270       -5.9525324389  SOLV      421             0.0000000000
      1296       424  TIP3      H2            -13.8038794112        6.9787220270       -5.8239424389  SOLV      421             0.0000000000
      1297       425  TIP3      OH2           -15.9661494112        9.2615020270       -5.1854824389  SOLV      422             0.0000000000
      1298       425  TIP3      H1            -15.4741694112        9.0405520270       -5.9762824389  SOLV      422             0.0000000000
      1299       425  TIP3      H2            -15.6040594112       10.1018420270       -4.9045324389  SOLV      422             0.0000000000
      1300       426  TIP3      OH2             2.0302305888        5.5916520270        1.0799175611  SOLV      423             0.0000000000
      1301       426  TIP3      H1              1.1128005888        5.8623620270        1.0442675611  SOLV      423             0.0000000000
      1302       426  TIP3      H2              2.1531705888        5.0564920270        0.2958875611  SOLV      423             0.0000000000
      1303       427  TIP3      OH2             2.0664305888        5.5146420270      -14.2583124389  SOLV      424             0.0000000000
      1304       427  TIP3      H1              2.4786905888        4.7932120270      -14.7335124389  SOLV      424             0.0000000000
      1305       427  TIP3      H2              2.7480805888        6.1841020270      -14.1998824389  SOLV      424             0.0000000000
      1306       428  TIP3      OH2           -15.6524994112        5.5194120270      -11.1312424389  SOLV      425             0.0000000000
      1307       428  TIP3      H1            -16.5776594112        5.7280720270      -11.2606924389  SOLV      425             0.0000000000
      1308       428  TIP3      H2            -15.1985094112        6.0034920270      -11.8210124389  SOLV      425             0.0000000000
      1309       429  TIP3      OH2            -0.3966094112        3.2377420270       -6.6654724389  SOLV      426             0.0000000000
      1310       429  TIP3      H1              0.2071505888        3.7852820270       -7.1673724389  SOLV      426             0.0000000000
      1311       429  TIP3      H2             -1.2664094112        3.5567820270       -6.9060624389  SOLV      426             0.0000000000
      1312       430  TIP3      OH2             1.3304305888        4.3766120270       -8.3323824389  SOLV      427             0.0000000000
      1313       430  TIP3      H1              1.9421805888        3.8621820270       -8.8590224389  SOLV      427             0.0000000000
      1314       430  TIP3      H2              1.7127705888        5.2538220270       -8.3089424389  SOLV      427             0.0000000000
      1315       431  TIP3      OH2           -13.2125794112        3.7643720270       -8.9561924389  SOLV      428             0.0000000000
      1316       431  TIP3      H1            -13.9895994112        3.5298620270       -9.4636024389  SOLV      428             0.0000000000
      1317       431  TIP3      H2            -12.6822194112        2.9675820270       -8.9473924389  SOLV      428             0.0000000000
      1318       432  TIP3      OH2           -14.3762394112        3.5621820270      -13.1525824389  SOLV      429             0.0000000000
      1319       432  TIP3      H1            -13.9371694112        4.1732320270      -13.7442324389  SOLV      429             0.0000000000
      1320       432  TIP3      H2            -15.0099994112        4.1005920270      -12.6785824389  SOLV      429             0.0000000000
      1321       433  TIP3      OH2            -8.6333194112        3.6910820270       -9.1428824389  SOLV      430             0.0000000000
      1322       433  TIP3      H1             -7.7589794112        4.0795120270       -9.1724524389  SOLV      430             0.0000000000
      1323       433  TIP3      H2             -8.7692394112        3.4758620270       -8.2201624389  SOLV      430             0.0000000000
      1324       434  TIP3      OH2            -3.0764794112        3.7210620270       -7.4937124389  SOLV      431             0.0000000000
      1325       434  TIP3      H1             -3.0003194112        3.8162220270       -8.4431124389  SOLV      431             0.0000000000
      1326       434  TIP3      H2             -3.3515594112        2.8133520270       -7.3648024389  SOLV      431             0.0000000000
      1327       435  TIP3      OH2            -1.7232194112        3.7468420270      -11.8012124389  SOLV      432             0.0000000000
      1328       435  TIP3      H1             -2.4261094112        4.3617620270      -12.0110724389  SOLV      432             0.0000000000
      1329       435  TIP3      H2             -2.1680794112        2.9095120270      -11.6701224389  SOLV      432             0.0000000000
      1330       436  TIP3      OH2           -12.5153294112        5.4783320270      -14.7101724389  SOLV      433             0.0000000000
      1331       436  TIP3      H1            -12.0239894112        4.8485720270      -15.2376224389  SOLV      433             0.0000000000
      1332       436  TIP3      H2            -11.8916994112        5.7742720270      -14.0470524389  SOLV      433             0.0000000000
      1333       437  TIP3      OH2           -13.2547794112        4.2785620270        0.5614275611  SOLV      434             0.0000000000
      1334       437  TIP3      H1            -13.6209594112        3.5128220270        1.0038975611  SOLV      434             0.0000000000
      1335       437  TIP3      H2            -12.3419294112        4.3075820270        0.8479375611  SOLV      434             0.0000000000
      1336       438  TIP3      OH2           -11.2816994112        3.6290020270        2.0971375611  SOLV      435             0.0000000000
      1337       438  TIP3      H1            -10.3833394112        3.3550220270        1.9124775611  SOLV      435             0.0000000000
      1338       438  TIP3      H2            -11.6683894112        2.8866020270        2.5613975611  SOLV      435             0.0000000000
      1339       439  TIP3      OH2            14.7216805888       12.9206020270       -8.9974424389  SOLV      436             0.0000000000
      1340       439  TIP3      H1             14.8107905888       13.8644220270       -9.1297324389  SOLV      436             0.0000000000
      1341       439  TIP3      H2             14.0834405888       12.6452420270       -9.6555024389  SOLV      436             0.0000000000
      1342       440  TIP3      OH2            13.6548105888       12.1756720270       -5.5786224389  SOLV      437             0.0000000000
      1343       440  TIP3      H1             13.6165605888       11.5293020270       -4.8736624389  SOLV      437             0.0000000000
      1344       440  TIP3      H2             13.3324605888       11.7091120270       -6.3497524389  SOLV      437             0.0000000000
      1345       441  TIP3      OH2             6.0233105888       11.7898820270       -3.9856324389  SOLV      438             0.0000000000
      1346       441  TIP3      H1              6.0645205888       11.1642120270       -3.2623924389  SOLV      438             0.0000000000
      1347       441  TIP3      H2              6.7260805888       12.4137420270       -3.8035924389  SOLV      438             0.0000000000
      1348       442  TIP3      OH2             3.5566705888        9.9000320270      -10.0578424389  SOLV      439             0.0000000000
      1349       442  TIP3      H1              3.1090105888       10.7459020270      -10.0761924389  SOLV      439             0.0000000000
      1350       442  TIP3      H2              2.9957905888        9.3204520270      -10.5733324389  SOLV      439             0.0000000000
      1351       443  TIP3      OH2             4.2672805888       12.0619920270       -7.9320424389  SOLV      440             0.0000000000
      1352       443  TIP3      H1              4.4806305888       11.2921520270       -7.4047424389  SOLV      440             0.0000000000
      1353       443  TIP3      H2              5.0050405888       12.1516620270       -8.5352824389  SOLV      440             0.0000000000
      1354       444  TIP3      OH2             8.3397805888        7.1036920270       -7.5725624389  SOLV      441             0.0000000000
      1355       444  TIP3      H1              8.3828905888        7.9635420270       -7.9909324389  SOLV      441             0.0000000000
      1356       444  TIP3      H2              7.8821905888        6.5511620270       -8.2062424389  SOLV      441             0.0000000000
      1357       445  TIP3      OH2             4.9599305888        9.5002720270       -6.8104224389  SOLV      442             0.0000000000
      1358       445  TIP3      H1              5.6135905888        8.9504420270       -6.3784124389  SOLV      442             0.0000000000
      1359       445  TIP3      H2              4.9838605888        9.2261720270       -7.7272224389  SOLV      442             0.0000000000
      1360       446  TIP3      OH2            10.1163805888       11.0504020270       -7.5952724389  SOLV      443             0.0000000000
      1361       446  TIP3      H1             10.7324805888       10.5239420270       -7.0858724389  SOLV      443             0.0000000000
      1362       446  TIP3      H2              9.5302605888       10.4102720270       -7.9989124389  SOLV      443             0.0000000000
      1363       447  TIP3      OH2             7.1499705888        6.0215320270       -3.4984824389  SOLV      444             0.0000000000
      1364       447  TIP3      H1              6.9311405888        6.5515920270       -4.2648824389  SOLV      444             0.0000000000
      1365       447  TIP3      H2              6.4820605888        6.2480820270       -2.8513424389  SOLV      444             0.0000000000
      1366       448  TIP3      OH2            14.5189505888       15.5216420270       -9.9545724389  SOLV      445             0.0000000000
      1367       448  TIP3      H1             14.2234605888       15.1988720270      -10.8058824389  SOLV      445             0.0000000000
      1368       448  TIP3      H2             14.1947305888       16.4213120270       -9.9133124389  SOLV      445             0.0000000000
      1369       449  TIP3      OH2             9.7191105888       13.6971020270       -3.2111124389  SOLV      446             0.0000000000
      1370       449  TIP3      H1              8.9790205888       14.2952520270       -3.1075924389  SOLV      446             0.0000000000
      1371       449  TIP3      H2             10.4330605888       14.2510620270       -3.5267524389  SOLV      446             0.0000000000
      1372       450  TIP3      OH2             6.7437005888        7.9137120270       -5.5462624389  SOLV      447             0.0000000000
      1373       450  TIP3      H1              7.3573305888        8.5464720270       -5.1730224389  SOLV      447             0.0000000000
      1374       450  TIP3      H2              7.2557705888        7.4412120270       -6.2025724389  SOLV      447             0.0000000000
      1375       451  TIP3      OH2             4.2476305888       15.3321920270      -11.6420324389  SOLV      448             0.0000000000
      1376       451  TIP3      H1              3.9757205888       15.5612920270      -12.5307424389  SOLV      448             0.0000000000
      1377       451  TIP3      H2              4.2932005888       16.1700720270      -11.1815024389  SOLV      448             0.0000000000
      1378       452  TIP3      OH2            11.1764405888        3.3270420270       -6.0459924389  SOLV      449             0.0000000000
      1379       452  TIP3      H1             11.0588605888        2.3786420270       -6.1001624389  SOLV      449             0.0000000000
      1380       452  TIP3      H2             10.3214505888        3.6596520270       -5.7728824389  SOLV      449             0.0000000000
      1381       453  TIP3      OH2            13.4429305888       12.1646020270      -11.5454124389  SOLV      450             0.0000000000
      1382       453  TIP3      H1             12.7314805888       12.6995720270      -11.8973624389  SOLV      450             0.0000000000
      1383       453  TIP3      H2             14.1338905888       12.2198120270      -12.2055224389  SOLV      450             0.0000000000
      1384       454  TIP3      OH2            13.4968505888       10.6220320270      -14.5069124389  SOLV      451             0.0000000000
      1385       454  TIP3      H1             14.1978405888       10.6447220270      -13.8555124389  SOLV      451             0.0000000000
      1386       454  TIP3      H2             13.7991405888        9.9940020270      -15.1629824389  SOLV      451             0.0000000000
      1387       455  TIP3      OH2             8.4940705888       13.0045520270       -8.7113224389  SOLV      452             0.0000000000
      1388       455  TIP3      H1              8.1635905888       12.6338920270       -9.5296224389  SOLV      452             0.0000000000
      1389       455  TIP3      H2              9.0824805888       12.3339520270       -8.3644924389  SOLV      452             0.0000000000
      1390       456  TIP3      OH2             8.8606205888       11.7731120270       -5.0778224389  SOLV      453             0.0000000000
      1391       456  TIP3      H1              9.4258705888       11.8945320270       -5.8407024389  SOLV      453             0.0000000000
      1392       456  TIP3      H2              9.1795105888       12.4106120270       -4.4389724389  SOLV      453             0.0000000000
      1393       457  TIP3      OH2             6.6606805888       12.3704920270       -1.1320624389  SOLV      454             0.0000000000
      1394       457  TIP3      H1              6.7310005888       13.0211720270       -0.4335624389  SOLV      454             0.0000000000
      1395       457  TIP3      H2              5.7699005888       12.4732420270       -1.4669724389  SOLV      454             0.0000000000
      1396       458  TIP3      OH2             7.4843405888       12.0739820270      -11.1220424389  SOLV      455             0.0000000000
      1397       458  TIP3      H1              7.1924705888       12.8421520270      -11.6129124389  SOLV      455             0.0000000000
      1398       458  TIP3      H2              6.8098605888       11.4146020270      -11.2849024389  SOLV      455             0.0000000000
      1399       459  TIP3      OH2             3.5773505888       14.4369020270       -2.3070624389  SOLV      456             0.0000000000
      1400       459  TIP3      H1              3.0761905888       14.4088420270       -3.1220924389  SOLV      456             0.0000000000
      1401       459  TIP3      H2              3.5827205888       13.5312220270       -1.9973324389  SOLV      456             0.0000000000
      1402       460  TIP3      OH2             5.8264005888       15.7604420270       -1.2637824389  SOLV      457             0.0000000000
      1403       460  TIP3      H1              6.0425305888       15.3990020270       -0.4042024389  SOLV      457             0.0000000000
      1404       460  TIP3      H2              4.9708705888       15.3858220270       -1.4734324389  SOLV      457             0.0000000000
      1405       461  TIP3      OH2             8.4452005888        4.2304920270       -5.2683624389  SOLV      458             0.0000000000
      1406       461  TIP3      H1              7.5835705888        4.1433120270       -5.6760724389  SOLV      458             0.0000000000
      1407       461  TIP3      H2              8.4227705888        5.0865020270       -4.8406024389  SOLV      458             0.0000000000
      1408       462  TIP3      OH2            13.1079805888        3.9525320270       -1.8936624389  SOLV      459             0.0000000000
      1409       462  TIP3      H1             13.5282905888        3.5372420270       -1.1406024389  SOLV      459             0.0000000000
      1410       462  TIP3      H2             12.1749405888        3.7738620270       -1.7764624389  SOLV      459             0.0000000000
      1411       463  TIP3      OH2            12.7697105888        6.4448720270      -14.6085824389  SOLV      460             0.0000000000
      1412       463  TIP3      H1             12.5161905888        6.4640320270      -13.6857724389  SOLV      460             0.0000000000
      1413       463  TIP3      H2             12.5129205888        5.5734120270      -14.9099624389  SOLV      460             0.0000000000
      1414       464  TIP3      OH2             8.5362105888        9.1959420270       -4.1733424389  SOLV      461             0.0000000000
      1415       464  TIP3      H1              7.8944205888        9.1556720270       -3.4643324389  SOLV      461             0.0000000000
      1416       464  TIP3      H2              8.5734105888       10.1224120270       -4.4110424389  SOLV      461             0.0000000000
      1417       465  TIP3      OH2             8.5331205888        9.4169520270       -9.2613424389  SOLV      462             0.0000000000
      1418       465  TIP3      H1              7.6404105888        9.0765620270       -9.3199624389  SOLV      462             0.0000000000
      1419       465  TIP3      H2              8.9837805888        9.0400420270      -10.0170224389  SOLV      462             0.0000000000
      1420       466  TIP3      OH2            14.0686705888        9.8329820270      -10.4442624389  SOLV      463             0.0000000000
      1421       466  TIP3      H1             13.6597005888       10.6478420270      -10.7357824389  SOLV      463             0.0000000000
      1422       466  TIP3      H2             14.7892905888        9.6929920270      -11.0585524389  SOLV      463             0.0000000000
      1423       467  TIP3      OH2            15.0734405888        9.2790220270       -7.6302924389  SOLV      464             0.0000000000
      1424       467  TIP3      H1             14.8778905888        9.8847020270       -8.3452324389  SOLV      464             0.0000000000
      1425       467  TIP3      H2             15.2547005888        8.4455420270       -8.0646624389  SOLV      464             0.0000000000
      1426       468  TIP3      OH2             6.2862605888        9.5162920270       -2.3061424389  SOLV      465             0.0000000000
      1427       468  TIP3      H1              6.2482005888        9.9164520270       -1.4374324389  SOLV      465             0.0000000000
      1428       468  TIP3      H2              5.7953705888        8.6995320270       -2.2158524389  SOLV      465             0.0000000000
      1429       469  TIP3      OH2             9.6520005888        6.8905220270      -15.5075424389  SOLV      466             0.0000000000
      1430       469  TIP3      H1              9.2210705888        6.4455320270      -14.7778024389  SOLV      466             0.0000000000
      1431       469  TIP3      H2              8.9338705888        7.2621520270      -16.0197924389  SOLV      466             0.0000000000
      1432       470  TIP3      OH2             2.8943405888        6.6324720270       -8.4556724389  SOLV      467             0.0000000000
      1433       470  TIP3      H1              3.5251105888        6.6036820270       -7.7362824389  SOLV      467             0.0000000000
      1434       470  TIP3      H2              3.3437705888        6.2073420270       -9.1860824389  SOLV      467             0.0000000000
      1435       471  TIP3      OH2             4.1685505888        7.3786720270      -13.0316324389  SOLV      468             0.0000000000
      1436       471  TIP3      H1              4.6427205888        7.9696620270      -13.6165424389  SOLV      468             0.0000000000
      1437       471  TIP3      H2              3.4511905888        7.9089620270      -12.6846224389  SOLV      468             0.0000000000
      1438       472  TIP3      OH2            14.3373605888       10.9171520270       -2.9590524389  SOLV      469             0.0000000000
      1439       472  TIP3      H1             14.6608405888       10.2861220270       -3.6020024389  SOLV      469             0.0000000000
      1440       472  TIP3      H2             13.8972905888       10.3823720270       -2.2983124389  SOLV      469             0.0000000000
      1441       473  TIP3      OH2            11.1146505888        6.8447020270       -8.1749324389  SOLV      470             0.0000000000
      1442       473  TIP3      H1             10.2037605888        6.9013820270       -7.8863324389  SOLV      470             0.0000000000
      1443       473  TIP3      H2             11.6199405888        6.7842520270       -7.3642124389  SOLV      470             0.0000000000
      1444       474  TIP3      OH2             5.9429905888        8.4733320270       -9.3481724389  SOLV      471             0.0000000000
      1445       474  TIP3      H1              5.0537905888        8.5728820270       -9.6882124389  SOLV      471             0.0000000000
      1446       474  TIP3      H2              6.2394805888        7.6316320270       -9.6943824389  SOLV      471             0.0000000000
      1447       475  TIP3      OH2             9.5961705888        8.4735920270      -11.6917124389  SOLV      472             0.0000000000
      1448       475  TIP3      H1             10.5277205888        8.6025920270      -11.5134024389  SOLV      472             0.0000000000
      1449       475  TIP3      H2              9.3812005888        9.1430220270      -12.3412424389  SOLV      472             0.0000000000
      1450       476  TIP3      OH2            15.5198405888        6.0793320270       -4.9107524389  SOLV      473             0.0000000000
      1451       476  TIP3      H1             14.8430005888        6.2106420270       -4.2467824389  SOLV      473             0.0000000000
      1452       476  TIP3      H2             15.0343305888        5.9242820270       -5.7209824389  SOLV      473             0.0000000000
      1453       477  TIP3      OH2             8.2701905888        9.6678120270      -14.1251024389  SOLV      474             0.0000000000
      1454       477  TIP3      H1              7.7277005888        9.2881920270      -14.8163424389  SOLV      474             0.0000000000
      1455       477  TIP3      H2              9.1036805888        9.8622820270      -14.5536924389  SOLV      474             0.0000000000
      1456       478  TIP3      OH2             6.4053305888       14.2250020270        0.9740575611  SOLV      475             0.0000000000
      1457       478  TIP3      H1              7.1375705888       14.4795920270        1.5355075611  SOLV      475             0.0000000000
      1458       478  TIP3      H2              5.6252005888       14.4295420270        1.4895975611  SOLV      475             0.0000000000
      1459       479  TIP3      OH2            12.4346205888        9.6320020270       -6.2879724389  SOLV      476             0.0000000000
      1460       479  TIP3      H1             12.9989605888        9.0856620270       -6.8350124389  SOLV      476             0.0000000000
      1461       479  TIP3      H2             12.2869605888        9.1101920270       -5.4992124389  SOLV      476             0.0000000000
      1462       480  TIP3      OH2             7.4365905888        5.7686120270       -9.8694924389  SOLV      477             0.0000000000
      1463       480  TIP3      H1              7.1195405888        4.8661420270       -9.9049524389  SOLV      477             0.0000000000
      1464       480  TIP3      H2              8.2180005888        5.7703520270      -10.4223324389  SOLV      477             0.0000000000
      1465       481  TIP3      OH2            11.0612105888        8.0206120270       -3.8739324389  SOLV      478             0.0000000000
      1466       481  TIP3      H1             10.2257405888        8.4745620270       -3.7636924389  SOLV      478             0.0000000000
      1467       481  TIP3      H2             11.5852705888        8.2964620270       -3.1219424389  SOLV      478             0.0000000000
      1468       482  TIP3      OH2            11.6054705888       14.2333820270      -12.1892924389  SOLV      479             0.0000000000
      1469       482  TIP3      H1             10.8605705888       13.7259120270      -12.5115024389  SOLV      479             0.0000000000
      1470       482  TIP3      H2             11.4711905888       14.2821820270      -11.2428124389  SOLV      479             0.0000000000
      1471       483  TIP3      OH2            15.5031505888        7.0473720270      -13.9900324389  SOLV      480             0.0000000000
      1472       483  TIP3      H1             14.5645705888        7.1589320270      -14.1411524389  SOLV      480             0.0000000000
      1473       483  TIP3      H2             15.8003605888        7.9040620270      -13.6834624389  SOLV      480             0.0000000000
      1474       484  TIP3      OH2             6.7303005888       13.5283820270       -6.4195024389  SOLV      481             0.0000000000
      1475       484  TIP3      H1              7.4750205888       13.5259520270       -7.0208524389  SOLV      481             0.0000000000
      1476       484  TIP3      H2              6.8079605888       12.7047620270       -5.9379924389  SOLV      481             0.0000000000
      1477       485  TIP3      OH2            13.7308805888       15.6918120270      -13.1638324389  SOLV      482             0.0000000000
      1478       485  TIP3      H1             13.4357205888       16.5186020270      -12.7823524389  SOLV      482             0.0000000000
      1479       485  TIP3      H2             13.0278805888       15.0725020270      -12.9676924389  SOLV      482             0.0000000000
      1480       486  TIP3      OH2             3.7382705888       11.9890720270       -1.1046524389  SOLV      483             0.0000000000
      1481       486  TIP3      H1              3.9611305888       11.5710320270       -0.2729024389  SOLV      483             0.0000000000
      1482       486  TIP3      H2              3.1362805888       11.3765720270       -1.5273724389  SOLV      483             0.0000000000
      1483       487  TIP3      OH2            10.7547605888       11.5060620270        1.1083175611  SOLV      484             0.0000000000
      1484       487  TIP3      H1             10.4588405888       11.3403620270        0.2132275611  SOLV      484             0.0000000000
      1485       487  TIP3      H2             11.6862805888       11.2860920270        1.0977075611  SOLV      484             0.0000000000
      1486       488  TIP3      OH2             4.8600105888       11.9086120270      -14.4281124389  SOLV      485             0.0000000000
      1487       488  TIP3      H1              5.4760005888       12.5353320270      -14.0486324389  SOLV      485             0.0000000000
      1488       488  TIP3      H2              3.9982705888       12.2245920270      -14.1564624389  SOLV      485             0.0000000000
      1489       489  TIP3      OH2             5.3722205888        6.7423420270       -1.5465124389  SOLV      486             0.0000000000
      1490       489  TIP3      H1              4.4794505888        7.0808820270       -1.6141124389  SOLV      486             0.0000000000
      1491       489  TIP3      H2              5.2735005888        5.8869520270       -1.1284324389  SOLV      486             0.0000000000
      1492       490  TIP3      OH2             6.2750505888       13.8209920270      -12.9355524389  SOLV      487             0.0000000000
      1493       490  TIP3      H1              5.5889805888       14.1732420270      -12.3685824389  SOLV      487             0.0000000000
      1494       490  TIP3      H2              6.7978405888       14.5839520270      -13.1821224389  SOLV      487             0.0000000000
      1495       491  TIP3      OH2            14.1065605888        6.4833720270       -2.6566524389  SOLV      488             0.0000000000
      1496       491  TIP3      H1             14.8053505888        6.5572420270       -2.0066824389  SOLV      488             0.0000000000
      1497       491  TIP3      H2             13.7257005888        5.6188720270       -2.5023624389  SOLV      488             0.0000000000
      1498       492  TIP3      OH2            14.8910505888        6.1355420270      -11.5594224389  SOLV      489             0.0000000000
      1499       492  TIP3      H1             15.1108805888        6.6070820270      -12.3628824389  SOLV      489             0.0000000000
      1500       492  TIP3      H2             15.4494505888        6.5298020270      -10.8893624389  SOLV      489             0.0000000000
      1501       493  TIP3      OH2            12.0910405888        7.8634220270      -10.7245824389  SOLV      490             0.0000000000
      1502       493  TIP3      H1             12.9033005888        8.3677420270      -10.6784124389  SOLV      490             0.0000000000
      1503       493  TIP3      H2             11.8463405888        7.7183920270       -9.8106224389  SOLV      490             0.0000000000
      1504       494  TIP3      OH2            12.9747105888        4.9447220270       -9.7864724389  SOLV      491             0.0000000000
      1505       494  TIP3      H1             12.6280605888        5.5617820270       -9.1420424389  SOLV      491             0.0000000000
      1506       494  TIP3      H2             13.6334005888        5.4452920270      -10.2679224389  SOLV      491             0.0000000000
      1507       495  TIP3      OH2             8.6324105888        6.0076620270      -13.0992224389  SOLV      492             0.0000000000
      1508       495  TIP3      H1              8.5488905888        6.8959720270      -12.7525824389  SOLV      492             0.0000000000
      1509       495  TIP3      H2              9.5224405888        5.7423320270      -12.8675424389  SOLV      492             0.0000000000
      1510       496  TIP3      OH2             5.2068605888        9.0991820270      -14.9228324389  SOLV      493             0.0000000000
      1511       496  TIP3      H1              5.1621205888       10.0384920270      -14.7441324389  SOLV      493             0.0000000000
      1512       496  TIP3      H2              4.3191805888        8.8636720270      -15.1926224389  SOLV      493             0.0000000000
      1513       497  TIP3      OH2             6.0150605888        3.8808420270       -6.2497324389  SOLV      494             0.0000000000
      1514       497  TIP3      H1              5.7860405888        3.9400920270       -7.1772324389  SOLV      494             0.0000000000
      1515       497  TIP3      H2              5.5724005888        3.0893920270       -5.9433224389  SOLV      494             0.0000000000
      1516       498  TIP3      OH2             4.1407105888       14.2443320270        2.1950775611  SOLV      495             0.0000000000
      1517       498  TIP3      H1              4.2847605888       13.3424020270        1.9087475611  SOLV      495             0.0000000000
      1518       498  TIP3      H2              3.3684505888       14.5305420270        1.7073075611  SOLV      495             0.0000000000
      1519       499  TIP3      OH2             8.4820805888       14.5879020270      -15.6724624389  SOLV      496             0.0000000000
      1520       499  TIP3      H1              8.5464905888       13.7938620270      -15.1418224389  SOLV      496             0.0000000000
      1521       499  TIP3      H2              9.1350005888       14.4691820270      -16.3622624389  SOLV      496             0.0000000000
      1522       500  TIP3      OH2            10.7963205888       14.2141420270        1.6277175611  SOLV      497             0.0000000000
      1523       500  TIP3      H1             10.4677005888       14.4849520270        0.7704575611  SOLV      497             0.0000000000
      1524       500  TIP3      H2             10.9481405888       13.2731220270        1.5402175611  SOLV      497             0.0000000000
      1525       501  TIP3      OH2            13.8344205888       15.6350720270      -15.9366624389  SOLV      498             0.0000000000
      1526       501  TIP3      H1             13.5658305888       15.8152820270      -15.0357724389  SOLV      498             0.0000000000
      1527       501  TIP3      H2             13.6279805888       14.7096920270      -16.0680824389  SOLV      498             0.0000000000
      1528       502  TIP3      OH2             4.9733605888       11.4446620270        1.6150075611  SOLV      499             0.0000000000
      1529       502  TIP3      H1              5.3814805888       10.5873220270        1.4940675611  SOLV      499             0.0000000000
      1530       502  TIP3      H2              4.7131205888       11.4587920270        2.5360375611  SOLV      499             0.0000000000
      1531       503  TIP3      OH2             9.6314605888       12.5605220270      -13.3666624389  SOLV      500             0.0000000000
      1532       503  TIP3      H1              9.1716605888       12.0763520270      -12.6808124389  SOLV      500             0.0000000000
      1533       503  TIP3      H2              9.8863305888       11.8920620270      -14.0026124389  SOLV      500             0.0000000000
      1534       504  TIP3      OH2             8.9203905888       10.4532320270       -1.0107024389  SOLV      501             0.0000000000
      1535       504  TIP3      H1              8.3020005888       11.1278920270       -0.7302324389  SOLV      501             0.0000000000
      1536       504  TIP3      H2              9.2645105888       10.7746220270       -1.8440824389  SOLV      501             0.0000000000
      1537       505  TIP3      OH2            10.7025005888       10.8037020270      -15.1043424389  SOLV      502             0.0000000000
      1538       505  TIP3      H1             10.5220005888       10.6488220270      -16.0315124389  SOLV      502             0.0000000000
      1539       505  TIP3      H2             11.6525505888       10.9115720270      -15.0595524389  SOLV      502             0.0000000000
      1540       506  TIP3      OH2            13.9402105888       12.9247620270        2.2667775611  SOLV      503             0.0000000000
      1541       506  TIP3      H1             14.8933305888       13.0086720270        2.2393775611  SOLV      503             0.0000000000
      1542       506  TIP3      H2             13.7796705888       12.2129420270        2.8862675611  SOLV      503             0.0000000000
      1543       507  TIP3      OH2             9.6723305888        6.1778920270       -2.4356524389  SOLV      504             0.0000000000
      1544       507  TIP3      H1             10.2080805888        6.6295620270       -3.0877224389  SOLV      504             0.0000000000
      1545       507  TIP3      H2              8.8202905888        6.0698720270       -2.8582424389  SOLV      504             0.0000000000
      1546       508  TIP3      OH2            11.2541705888       11.6175120270       -2.1961324389  SOLV      505             0.0000000000
      1547       508  TIP3      H1             12.0046505888       11.4612620270       -2.7693524389  SOLV      505             0.0000000000
      1548       508  TIP3      H2             10.9150005888       12.4691720270       -2.4715824389  SOLV      505             0.0000000000
      1549       509  TIP3      OH2             7.7383905888        9.0066620270        1.9831675611  SOLV      506             0.0000000000
      1550       509  TIP3      H1              6.9712905888        8.4741420270        1.7729275611  SOLV      506             0.0000000000
      1551       509  TIP3      H2              8.4172905888        8.6967020270        1.3837975611  SOLV      506             0.0000000000
      1552       510  TIP3      OH2            10.4778805888        3.6344620270       -2.0042924389  SOLV      507             0.0000000000
      1553       510  TIP3      H1             10.3798405888        4.5807820270       -2.1096724389  SOLV      507             0.0000000000
      1554       510  TIP3      H2              9.7355005888        3.2618420270       -2.4799424389  SOLV      507             0.0000000000
      1555       511  TIP3      OH2            14.4575905888        7.0833520270        0.6348975611  SOLV      508             0.0000000000
      1556       511  TIP3      H1             13.5101305888        7.1153220270        0.7672275611  SOLV      508             0.0000000000
      1557       511  TIP3      H2             14.7702605888        6.4580620270        1.2887175611  SOLV      508             0.0000000000
      1558       512  TIP3      OH2             5.9186705888        6.9270420270        1.6876375611  SOLV      509             0.0000000000
      1559       512  TIP3      H1              6.1304105888        6.2206520270        1.0773875611  SOLV      509             0.0000000000
      1560       512  TIP3      H2              5.8074205888        6.4896420270        2.5317575611  SOLV      509             0.0000000000
      1561       513  TIP3      OH2             3.7670905888       12.6795420270       -5.2866724389  SOLV      510             0.0000000000
      1562       513  TIP3      H1              3.9513805888       12.5977120270       -6.2223824389  SOLV      510             0.0000000000
      1563       513  TIP3      H2              4.6163805888       12.5552420270       -4.8630324389  SOLV      510             0.0000000000
      1564       514  TIP3      OH2             3.3645705888        7.9500420270        0.8542075611  SOLV      511             0.0000000000
      1565       514  TIP3      H1              4.2840605888        7.8278720270        1.0905175611  SOLV      511             0.0000000000
      1566       514  TIP3      H2              2.9150205888        7.2000120270        1.2435575611  SOLV      511             0.0000000000
      1567       515  TIP3      OH2             4.5858205888        6.2622020270       -6.2545024389  SOLV      512             0.0000000000
      1568       515  TIP3      H1              5.0309805888        5.4704520270       -5.9525324389  SOLV      512             0.0000000000
      1569       515  TIP3      H2              5.0521205888        6.9787220270       -5.8239424389  SOLV      512             0.0000000000
      1570       516  TIP3      OH2             2.8898505888        9.2615020270       -5.1854824389  SOLV      513             0.0000000000
      1571       516  TIP3      H1              3.3818305888        9.0405520270       -5.9762824389  SOLV      513             0.0000000000
      1572       516  TIP3      H2              3.2519405888       10.1018420270       -4.9045324389  SOLV      513             0.0000000000
      1573       517  TIP3      OH2             3.2035005888        5.5194120270      -11.1312424389  SOLV      514             0.0000000000
      1574       517  TIP3      H1              2.2783405888        5.7280720270      -11.2606924389  SOLV      514             0.0000000000
      1575       517  TIP3      H2              3.6574905888        6.0034920270      -11.8210124389  SOLV      514             0.0000000000
      1576       518  TIP3      OH2             3.1670405888        4.2573120270       -2.7869924389  SOLV      515             0.0000000000
      1577       518  TIP3      H1              2.5020905888        4.0113420270       -2.1439024389  SOLV      515             0.0000000000
      1578       518  TIP3      H2              2.7241705888        4.8793520270       -3.3641924389  SOLV      515             0.0000000000
      1579       519  TIP3      OH2            13.3166705888        5.1303420270       -6.7781824389  SOLV      516             0.0000000000
      1580       519  TIP3      H1             12.6423505888        4.5009020270       -6.5226024389  SOLV      516             0.0000000000
      1581       519  TIP3      H2             13.8805905888        4.6462320270       -7.3813924389  SOLV      516             0.0000000000
      1582       520  TIP3      OH2             5.6434205888        3.7643720270       -8.9561924389  SOLV      517             0.0000000000
      1583       520  TIP3      H1              4.8664005888        3.5298620270       -9.4636024389  SOLV      517             0.0000000000
      1584       520  TIP3      H2              6.1737805888        2.9675820270       -8.9473924389  SOLV      517             0.0000000000
      1585       521  TIP3      OH2             4.4797605888        3.5621820270      -13.1525824389  SOLV      518             0.0000000000
      1586       521  TIP3      H1              4.9188305888        4.1732320270      -13.7442324389  SOLV      518             0.0000000000
      1587       521  TIP3      H2              3.8460005888        4.1005920270      -12.6785824389  SOLV      518             0.0000000000
      1588       522  TIP3      OH2            10.2226805888        3.6910820270       -9.1428824389  SOLV      519             0.0000000000
      1589       522  TIP3      H1             11.0970205888        4.0795120270       -9.1724524389  SOLV      519             0.0000000000
      1590       522  TIP3      H2             10.0867605888        3.4758620270       -8.2201624389  SOLV      519             0.0000000000
      1591       523  TIP3      OH2            15.7795205888        3.7210620270       -7.4937124389  SOLV      520             0.0000000000
      1592       523  TIP3      H1             15.8556805888        3.8162220270       -8.4431124389  SOLV      520             0.0000000000
      1593       523  TIP3      H2             15.5044405888        2.8133520270       -7.3648024389  SOLV      520             0.0000000000
      1594       524  TIP3      OH2             6.3406705888        5.4783320270      -14.7101724389  SOLV      521             0.0000000000
      1595       524  TIP3      H1              6.8320105888        4.8485720270      -15.2376224389  SOLV      521             0.0000000000
      1596       524  TIP3      H2              6.9643005888        5.7742720270      -14.0470524389  SOLV      521             0.0000000000
      1597       525  TIP3      OH2            11.3666805888        5.7714820270      -12.2531224389  SOLV      522             0.0000000000
      1598       525  TIP3      H1             11.5448105888        5.1248020270      -11.5702624389  SOLV      522             0.0000000000
      1599       525  TIP3      H2             11.3133005888        6.6052520270      -11.7860124389  SOLV      522             0.0000000000
      1600       526  TIP3      OH2             5.6012205888        4.2785620270        0.5614275611  SOLV      523             0.0000000000
      1601       526  TIP3      H1              5.2350405888        3.5128220270        1.0038975611  SOLV      523             0.0000000000
      1602       526  TIP3      H2              6.5140705888        4.3075820270        0.8479375611  SOLV      523             0.0000000000
      1603       527  TIP3      OH2             7.5743005888        3.6290020270        2.0971375611  SOLV      524             0.0000000000
      1604       527  TIP3      H1              8.4726605888        3.3550220270        1.9124775611  SOLV      524             0.0000000000
      1605       527  TIP3      H2              7.1876105888        2.8866020270        2.5613975611  SOLV      524             0.0000000000
      1606       528  TIP3      OH2            -4.1343194112       -5.9353979730        9.8585575611  SOLV      525             0.0000000000
      1607       528  TIP3      H1             -4.0452094112       -4.9915779730        9.7262675611  SOLV      525             0.0000000000
      1608       528  TIP3      H2             -4.7725594112       -6.2107579730        9.2004975611  SOLV      525             0.0000000000
      1609       529  TIP3      OH2            -5.2011894112       -6.6803279730       13.2773775611  SOLV      526             0.0000000000
      1610       529  TIP3      H1             -5.2394394112       -7.3266979730       13.9823375611  SOLV      526             0.0000000000
      1611       529  TIP3      H2             -5.5235394112       -7.1468879730       12.5062475611  SOLV      526             0.0000000000
      1612       530  TIP3      OH2           -12.8326894112       -7.0661179730       14.8703675611  SOLV      527             0.0000000000
      1613       530  TIP3      H1            -12.7914794112       -7.6917879730       15.5936075611  SOLV      527             0.0000000000
      1614       530  TIP3      H2            -12.1299194112       -6.4422579730       15.0524075611  SOLV      527             0.0000000000
      1615       531  TIP3      OH2            -1.4951694112       -3.7412879730       11.5788875611  SOLV      528             0.0000000000
      1616       531  TIP3      H1             -1.9358994112       -4.4616879730       12.0294475611  SOLV      528             0.0000000000
      1617       531  TIP3      H2             -1.5081994112       -3.0205679730       12.2086575611  SOLV      528             0.0000000000
      1618       532  TIP3      OH2           -11.9093794112       -2.6162279730       13.4052775611  SOLV      529             0.0000000000
      1619       532  TIP3      H1            -12.2788594112       -3.4181779730       13.0357075611  SOLV      529             0.0000000000
      1620       532  TIP3      H2            -10.9682694112       -2.7847379730       13.4516175611  SOLV      529             0.0000000000
      1621       533  TIP3      OH2           -15.2993294112       -8.9559679730        8.7981575611  SOLV      530             0.0000000000
      1622       533  TIP3      H1            -15.7469894112       -8.1100979730        8.7798075611  SOLV      530             0.0000000000
      1623       533  TIP3      H2            -15.8602094112       -9.5355479730        8.2826675611  SOLV      530             0.0000000000
      1624       534  TIP3      OH2           -14.5887194112       -6.7940079730       10.9239575611  SOLV      531             0.0000000000
      1625       534  TIP3      H1            -14.3753694112       -7.5638479730       11.4512575611  SOLV      531             0.0000000000
      1626       534  TIP3      H2            -13.8509594112       -6.7043379730       10.3207175611  SOLV      531             0.0000000000
      1627       535  TIP3      OH2            -6.8117494112       -4.2481879730       13.6834775611  SOLV      532             0.0000000000
      1628       535  TIP3      H1             -6.5079594112       -4.9340479730       13.0888875611  SOLV      532             0.0000000000
      1629       535  TIP3      H2             -6.0903494112       -4.1293179730       14.3012775611  SOLV      532             0.0000000000
      1630       536  TIP3      OH2             1.8512305888      -12.6466579730       14.5440975611  SOLV      533             0.0000000000
      1631       536  TIP3      H1              1.9004505888      -12.0365379730       15.2800075611  SOLV      533             0.0000000000
      1632       536  TIP3      H2              2.2767405888      -12.1855679730       13.8212075611  SOLV      533             0.0000000000
      1633       537  TIP3      OH2            -3.6710494112       -9.8539479730       14.0109575611  SOLV      534             0.0000000000
      1634       537  TIP3      H1             -3.5284594112      -10.8002479730       14.0311175611  SOLV      534             0.0000000000
      1635       537  TIP3      H2             -3.7771494112       -9.6469679730       13.0824475611  SOLV      534             0.0000000000
      1636       538  TIP3      OH2           -10.5162194112      -11.7523079730       11.2834375611  SOLV      535             0.0000000000
      1637       538  TIP3      H1            -10.4731094112      -10.8924579730       10.8650675611  SOLV      535             0.0000000000
      1638       538  TIP3      H2            -10.9738094112      -12.3048379730       10.6497575611  SOLV      535             0.0000000000
      1639       539  TIP3      OH2            -2.7939494112      -11.6217479730        9.6842675611  SOLV      536             0.0000000000
      1640       539  TIP3      H1             -2.1475194112      -11.9504279730       10.3090275611  SOLV      536             0.0000000000
      1641       539  TIP3      H2             -2.2840094112      -11.1038479730        9.0614075611  SOLV      536             0.0000000000
      1642       540  TIP3      OH2           -13.8960694112       -9.3557279730       12.0455775611  SOLV      537             0.0000000000
      1643       540  TIP3      H1            -13.2424094112       -9.9055579730       12.4775875611  SOLV      537             0.0000000000
      1644       540  TIP3      H2            -13.8721394112       -9.6298279730       11.1287775611  SOLV      537             0.0000000000
      1645       541  TIP3      OH2            -8.7396194112       -7.8055979730       11.2607275611  SOLV      538             0.0000000000
      1646       541  TIP3      H1             -8.1235194112       -8.3320579730       11.7701275611  SOLV      538             0.0000000000
      1647       541  TIP3      H2             -9.3257394112       -8.4457279730       10.8570875611  SOLV      538             0.0000000000
      1648       542  TIP3      OH2           -11.7060294112      -12.8344679730       15.3575175611  SOLV      539             0.0000000000
      1649       542  TIP3      H1            -11.9248594112      -12.3044079730       14.5911175611  SOLV      539             0.0000000000
      1650       542  TIP3      H2            -12.3739394112      -12.6079179730       16.0046575611  SOLV      539             0.0000000000
      1651       543  TIP3      OH2            -4.3370494112       -3.3343579730        8.9014275611  SOLV      540             0.0000000000
      1652       543  TIP3      H1             -4.6325394112       -3.6571279730        8.0501175611  SOLV      540             0.0000000000
      1653       543  TIP3      H2             -4.6612694112       -2.4346879730        8.9426875611  SOLV      540             0.0000000000
      1654       544  TIP3      OH2            -9.1368894112       -5.1588979730       15.6448875611  SOLV      541             0.0000000000
      1655       544  TIP3      H1             -9.8769794112       -4.5607479730       15.7484075611  SOLV      541             0.0000000000
      1656       544  TIP3      H2             -8.4229394112       -4.6049379730       15.3292475611  SOLV      541             0.0000000000
      1657       545  TIP3      OH2            -1.0301094112      -12.3308179730       11.6648575611  SOLV      542             0.0000000000
      1658       545  TIP3      H1             -1.2453094112      -13.0964779730       12.1974575611  SOLV      542             0.0000000000
      1659       545  TIP3      H2             -0.3743694112      -11.8583579730       12.1777075611  SOLV      542             0.0000000000
      1660       546  TIP3      OH2           -12.1122994112      -10.9422879730       13.3097375611  SOLV      543             0.0000000000
      1661       546  TIP3      H1            -11.4986694112      -10.3095279730       13.6829775611  SOLV      543             0.0000000000
      1662       546  TIP3      H2            -11.6002294112      -11.4147879730       12.6534275611  SOLV      543             0.0000000000
      1663       547  TIP3      OH2           -14.6083694112       -3.5238079730        7.2139675611  SOLV      544             0.0000000000
      1664       547  TIP3      H1            -14.8802794112       -3.2947079730        6.3252575611  SOLV      544             0.0000000000
      1665       547  TIP3      H2            -14.5627994112       -2.6859279730        7.6744975611  SOLV      544             0.0000000000
      1666       548  TIP3      OH2            -0.9833994112       -1.9022179730       13.9268175611  SOLV      545             0.0000000000
      1667       548  TIP3      H1             -1.9250294112       -1.8438279730       14.0885075611  SOLV      545             0.0000000000
      1668       548  TIP3      H2             -0.7067894112       -0.9961679730       13.7897875611  SOLV      545             0.0000000000
      1669       549  TIP3      OH2            -0.6826994112      -13.6156879730       15.3442075611  SOLV      546             0.0000000000
      1670       549  TIP3      H1             -1.4187794112      -13.0049779730       15.3063375611  SOLV      546             0.0000000000
      1671       549  TIP3      H2              0.0007005888      -13.2007879730       14.8178475611  SOLV      546             0.0000000000
      1672       550  TIP3      OH2            -2.7312794112       -0.1208679730       10.5519775611  SOLV      547             0.0000000000
      1673       550  TIP3      H1             -2.3060494112       -0.8280779730       10.0669375611  SOLV      547             0.0000000000
      1674       550  TIP3      H2             -2.4142794112        0.6804020270       10.1351975611  SOLV      547             0.0000000000
      1675       551  TIP3      OH2            -1.5716294112       -2.2200179730        9.0606375611  SOLV      548             0.0000000000
      1676       551  TIP3      H1             -1.8291494112       -2.9100079730        8.4492275611  SOLV      548             0.0000000000
      1677       551  TIP3      H2             -1.5005494112       -2.6628979730        9.9062275611  SOLV      548             0.0000000000
      1678       552  TIP3      OH2            -5.4130694112       -6.6913979730        7.3105875611  SOLV      549             0.0000000000
      1679       552  TIP3      H1             -6.1245194112       -6.1564279730        6.9586375611  SOLV      549             0.0000000000
      1680       552  TIP3      H2             -4.7221094112       -6.6361879730        6.6504775611  SOLV      549             0.0000000000
      1681       553  TIP3      OH2             1.9563205888       -7.3135479730       15.6040275611  SOLV      550             0.0000000000
      1682       553  TIP3      H1              1.3037305888       -6.6189879730       15.6931175611  SOLV      550             0.0000000000
      1683       553  TIP3      H2              2.4213505888       -7.1034579730       14.7941875611  SOLV      550             0.0000000000
      1684       554  TIP3      OH2            -2.0072994112       -6.4820679730        8.2621775611  SOLV      551             0.0000000000
      1685       554  TIP3      H1             -2.7391994112       -6.2536979730        8.8352375611  SOLV      551             0.0000000000
      1686       554  TIP3      H2             -1.5600794112       -7.1957979730        8.7169275611  SOLV      551             0.0000000000
      1687       555  TIP3      OH2           -10.3619294112       -5.8514479730       10.1446775611  SOLV      552             0.0000000000
      1688       555  TIP3      H1            -10.6924094112       -6.2221079730        9.3263775611  SOLV      552             0.0000000000
      1689       555  TIP3      H2             -9.7735194112       -6.5220479730       10.4915075611  SOLV      552             0.0000000000
      1690       556  TIP3      OH2            -8.9951794112       -2.4233879730       12.8258975611  SOLV      553             0.0000000000
      1691       556  TIP3      H1             -9.0900494112       -3.0020779730       12.0693575611  SOLV      553             0.0000000000
      1692       556  TIP3      H2             -8.2658194112       -2.7948179730       13.3221775611  SOLV      553             0.0000000000
      1693       557  TIP3      OH2            -9.9953794112       -7.0828879730       13.7781775611  SOLV      554             0.0000000000
      1694       557  TIP3      H1             -9.4301294112       -6.9614679730       13.0152975611  SOLV      554             0.0000000000
      1695       557  TIP3      H2             -9.6764894112       -6.4453879730       14.4170275611  SOLV      554             0.0000000000
      1696       558  TIP3      OH2            -3.6861594112       -1.5796979730       14.5122275611  SOLV      555             0.0000000000
      1697       558  TIP3      H1             -3.9264994112       -0.9173879730       15.1601475611  SOLV      555             0.0000000000
      1698       558  TIP3      H2             -3.8843394112       -2.4141779730       14.9371875611  SOLV      555             0.0000000000
      1699       559  TIP3      OH2            -5.4098594112       -0.5829279730        9.3826075611  SOLV      556             0.0000000000
      1700       559  TIP3      H1             -4.9360994112       -0.2872979730       10.1600275611  SOLV      556             0.0000000000
      1701       559  TIP3      H2             -5.9729294112        0.1552320270        9.1495675611  SOLV      556             0.0000000000
      1702       560  TIP3      OH2           -11.3716594112       -6.7820179730        7.7339575611  SOLV      557             0.0000000000
      1703       560  TIP3      H1            -11.6635294112       -6.0138479730        7.2430875611  SOLV      557             0.0000000000
      1704       560  TIP3      H2            -12.0461394112       -7.4413979730        7.5710975611  SOLV      557             0.0000000000
      1705       561  TIP3      OH2             1.7516305888       -1.2034979730        4.1366575611  SOLV      558             0.0000000000
      1706       561  TIP3      H1              1.8249805888       -0.2644779730        4.3071875611  SOLV      558             0.0000000000
      1707       561  TIP3      H2              2.6571405888       -1.5086379730        4.0803875611  SOLV      558             0.0000000000
      1708       562  TIP3      OH2           -15.5283794112       -1.6387179730       13.4329575611  SOLV      559             0.0000000000
      1709       562  TIP3      H1            -14.5823194112       -1.7830179730       13.4139075611  SOLV      559             0.0000000000
      1710       562  TIP3      H2            -15.6407494112       -0.8544379730       13.9700775611  SOLV      559             0.0000000000
      1711       563  TIP3      OH2            -5.9375494112        2.3735420270        7.7975275611  SOLV      560             0.0000000000
      1712       563  TIP3      H1             -6.0129494112        2.2522620270        6.8510475611  SOLV      560             0.0000000000
      1713       563  TIP3      H2             -5.9046794112        3.3228120270        7.9159875611  SOLV      560             0.0000000000
      1714       564  TIP3      OH2           -12.2841694112        1.1622420270        9.5784275611  SOLV      561             0.0000000000
      1715       564  TIP3      H1            -12.1321294112        0.8142820270       10.4570775611  SOLV      561             0.0000000000
      1716       564  TIP3      H2            -13.1351294112        0.8059720270        9.3231475611  SOLV      561             0.0000000000
      1717       565  TIP3      OH2            -2.8359494112        1.5275620270        4.7997675611  SOLV      562             0.0000000000
      1718       565  TIP3      H1             -2.4611094112        0.7831720270        4.3290275611  SOLV      562             0.0000000000
      1719       565  TIP3      H2             -2.8315794112        1.2576220270        5.7180975611  SOLV      562             0.0000000000
      1720       566  TIP3      OH2            -3.1671394112        1.4532720270        7.5489875611  SOLV      563             0.0000000000
      1721       566  TIP3      H1             -4.1021594112        1.5534620270        7.7276875611  SOLV      563             0.0000000000
      1722       566  TIP3      H2             -2.8869494112        0.7438720270        8.1273075611  SOLV      563             0.0000000000
      1723       567  TIP3      OH2            -1.6590394112       -6.2869479730        3.5770875611  SOLV      564             0.0000000000
      1724       567  TIP3      H1             -1.6169594112       -6.5095579730        2.6470875611  SOLV      564             0.0000000000
      1725       567  TIP3      H2             -0.8098294112       -5.8882379730        3.7670775611  SOLV      564             0.0000000000
      1726       568  TIP3      OH2            -6.0862894112      -12.4111279730        4.2474175611  SOLV      565             0.0000000000
      1727       568  TIP3      H1             -6.3398094112      -12.3919679730        5.1702275611  SOLV      565             0.0000000000
      1728       568  TIP3      H2             -6.3430794112      -13.2825879730        3.9460375611  SOLV      565             0.0000000000
      1729       569  TIP3      OH2           -10.3197894112       -9.6600579730       14.6826575611  SOLV      566             0.0000000000
      1730       569  TIP3      H1            -10.9615794112       -9.7003279730       15.3916675611  SOLV      566             0.0000000000
      1731       569  TIP3      H2            -10.2825894112       -8.7335879730       14.4449575611  SOLV      566             0.0000000000
      1732       570  TIP3      OH2           -10.3228794112       -9.4390479730        9.5946575611  SOLV      567             0.0000000000
      1733       570  TIP3      H1            -11.2155894112       -9.7794379730        9.5360375611  SOLV      567             0.0000000000
      1734       570  TIP3      H2             -9.8722194112       -9.8159579730        8.8389775611  SOLV      567             0.0000000000
      1735       571  TIP3      OH2            -4.7873294112       -9.0230179730        8.4117375611  SOLV      568             0.0000000000
      1736       571  TIP3      H1             -5.1962994112       -8.2081579730        8.1202175611  SOLV      568             0.0000000000
      1737       571  TIP3      H2             -4.0667094112       -9.1630079730        7.7974475611  SOLV      568             0.0000000000
      1738       572  TIP3      OH2            -3.7825594112       -9.5769779730       11.2257075611  SOLV      569             0.0000000000
      1739       572  TIP3      H1             -3.9781094112       -8.9712979730       10.5107675611  SOLV      569             0.0000000000
      1740       572  TIP3      H2             -3.6012994112      -10.4104579730       10.7913375611  SOLV      569             0.0000000000
      1741       573  TIP3      OH2            -9.2039994112      -11.9654779730        3.3484575611  SOLV      570             0.0000000000
      1742       573  TIP3      H1             -9.6349294112      -12.4104679730        4.0781975611  SOLV      570             0.0000000000
      1743       573  TIP3      H2             -9.9221294112      -11.5938479730        2.8362075611  SOLV      570             0.0000000000
      1744       574  TIP3      OH2           -15.9616594112      -12.2235279730       10.4003275611  SOLV      571             0.0000000000
      1745       574  TIP3      H1            -15.3308894112      -12.2523179730       11.1197175611  SOLV      571             0.0000000000
      1746       574  TIP3      H2            -15.5122294112      -12.6486579730        9.6699175611  SOLV      571             0.0000000000
      1747       575  TIP3      OH2           -14.6874494112      -11.4773279730        5.8243675611  SOLV      572             0.0000000000
      1748       575  TIP3      H1            -14.2132794112      -10.8863379730        5.2394575611  SOLV      572             0.0000000000
      1749       575  TIP3      H2            -15.4048094112      -10.9470379730        6.1713775611  SOLV      572             0.0000000000
      1750       576  TIP3      OH2            -4.5186394112       -7.9388479730       15.8969475611  SOLV      573             0.0000000000
      1751       576  TIP3      H1             -4.1951594112       -8.5698779730       15.2539975611  SOLV      573             0.0000000000
      1752       576  TIP3      H2             -4.9587094112       -8.4736279730       16.5576875611  SOLV      573             0.0000000000
      1753       577  TIP3      OH2            -7.7413494112      -12.0112979730       10.6810675611  SOLV      574             0.0000000000
      1754       577  TIP3      H1             -8.6522394112      -11.9546179730       10.9696675611  SOLV      574             0.0000000000
      1755       577  TIP3      H2             -7.2360594112      -12.0717479730       11.4917875611  SOLV      574             0.0000000000
      1756       578  TIP3      OH2           -12.9130094112      -10.3826679730        9.5078275611  SOLV      575             0.0000000000
      1757       578  TIP3      H1            -13.8022094112      -10.2831179730        9.1677875611  SOLV      575             0.0000000000
      1758       578  TIP3      H2            -12.6165194112      -11.2243679730        9.1616175611  SOLV      575             0.0000000000
      1759       579  TIP3      OH2            -9.2598294112      -10.3824079730        7.1642875611  SOLV      576             0.0000000000
      1760       579  TIP3      H1             -8.3282794112      -10.2534079730        7.3425975611  SOLV      576             0.0000000000
      1761       579  TIP3      H2             -9.4747994112       -9.7129779730        6.5147575611  SOLV      576             0.0000000000
      1762       580  TIP3      OH2            -3.3361594112      -12.7766679730       13.9452475611  SOLV      577             0.0000000000
      1763       580  TIP3      H1             -4.0129994112      -12.6453579730       14.6092175611  SOLV      577             0.0000000000
      1764       580  TIP3      H2             -3.8216694112      -12.9317179730       13.1350175611  SOLV      577             0.0000000000
      1765       581  TIP3      OH2           -10.5858094112       -9.1881879730        4.7308975611  SOLV      578             0.0000000000
      1766       581  TIP3      H1            -11.1282994112       -9.5678079730        4.0396575611  SOLV      578             0.0000000000
      1767       581  TIP3      H2             -9.7523194112       -8.9937179730        4.3023075611  SOLV      578             0.0000000000
      1768       582  TIP3      OH2            -6.4213794112       -9.2239979730       12.5680275611  SOLV      579             0.0000000000
      1769       582  TIP3      H1             -5.8570394112       -9.7703379730       12.0209875611  SOLV      579             0.0000000000
      1770       582  TIP3      H2             -6.5690394112       -9.7458079730       13.3567875611  SOLV      579             0.0000000000
      1771       583  TIP3      OH2           -11.4194094112      -13.0873879730        8.9865075611  SOLV      580             0.0000000000
      1772       583  TIP3      H1            -11.7364594112      -13.9898579730        8.9510475611  SOLV      580             0.0000000000
      1773       583  TIP3      H2            -10.6379994112      -13.0856479730        8.4336675611  SOLV      580             0.0000000000
      1774       584  TIP3      OH2            -7.7947894112      -10.8353879730       14.9820675611  SOLV      581             0.0000000000
      1775       584  TIP3      H1             -8.6302594112      -10.3814379730       15.0923075611  SOLV      581             0.0000000000
      1776       584  TIP3      H2             -7.2707294112      -10.5595379730       15.7340575611  SOLV      581             0.0000000000
      1777       585  TIP3      OH2            -7.2505294112       -4.6226179730        6.6667075611  SOLV      582             0.0000000000
      1778       585  TIP3      H1             -7.9954294112       -5.1300879730        6.3444975611  SOLV      582             0.0000000000
      1779       585  TIP3      H2             -7.3848094112       -4.5738179730        7.6131875611  SOLV      582             0.0000000000
      1780       586  TIP3      OH2            -0.1006394112       -5.4897979730       15.4534675611  SOLV      583             0.0000000000
      1781       586  TIP3      H1              0.5412405888       -5.0331679730       14.9096875611  SOLV      583             0.0000000000
      1782       586  TIP3      H2             -0.9309494112       -5.3765579730       14.9908775611  SOLV      583             0.0000000000
      1783       587  TIP3      OH2           -12.1256994112       -5.3276179730       12.4364975611  SOLV      584             0.0000000000
      1784       587  TIP3      H1            -11.3809794112       -5.3300479730       11.8351475611  SOLV      584             0.0000000000
      1785       587  TIP3      H2            -12.0480394112       -6.1512379730       12.9180075611  SOLV      584             0.0000000000
      1786       588  TIP3      OH2            -5.1251194112       -3.1641879730        5.6921675611  SOLV      585             0.0000000000
      1787       588  TIP3      H1             -5.4202794112       -2.3373979730        6.0736475611  SOLV      585             0.0000000000
      1788       588  TIP3      H2             -5.8281194112       -3.7834979730        5.8883075611  SOLV      585             0.0000000000
      1789       589  TIP3      OH2             2.2503705888       -9.7319479730        6.2213775611  SOLV      586             0.0000000000
      1790       589  TIP3      H1              1.6960005888      -10.1281479730        5.5491275611  SOLV      586             0.0000000000
      1791       589  TIP3      H2              2.3507305888       -8.8214279730        5.9437075611  SOLV      586             0.0000000000
      1792       590  TIP3      OH2             0.5455405888       -0.9459079730        6.6865875611  SOLV      587             0.0000000000
      1793       590  TIP3      H1              0.1726505888       -1.7715279730        6.9956475611  SOLV      587             0.0000000000
      1794       590  TIP3      H2              0.8228905888       -1.1289679730        5.7889275611  SOLV      587             0.0000000000
      1795       591  TIP3      OH2            -2.2940694112       -6.1379579730       13.7077775611  SOLV      588             0.0000000000
      1796       591  TIP3      H1             -3.2223794112       -6.3697679730       13.6807075611  SOLV      588             0.0000000000
      1797       591  TIP3      H2             -1.8429594112       -6.9149779730       13.3776575611  SOLV      588             0.0000000000
      1798       592  TIP3      OH2            -9.7507594112       -1.8097979730        9.8406475611  SOLV      589             0.0000000000
      1799       592  TIP3      H1             -9.2235394112       -1.0363579730        9.6405275611  SOLV      589             0.0000000000
      1800       592  TIP3      H2            -10.6309094112       -1.5848779730        9.5390475611  SOLV      589             0.0000000000
      1801       593  TIP3      OH2           -13.9959894112       -6.9473879730        4.4278875611  SOLV      590             0.0000000000
      1802       593  TIP3      H1            -13.3799994112       -6.3206679730        4.8073675611  SOLV      590             0.0000000000
      1803       593  TIP3      H2            -14.8577294112       -6.6314079730        4.6995375611  SOLV      590             0.0000000000
      1804       594  TIP3      OH2            -8.3235294112       -4.1468079730        9.4170775611  SOLV      591             0.0000000000
      1805       594  TIP3      H1             -8.5645294112       -3.2213679730        9.4586075611  SOLV      591             0.0000000000
      1806       594  TIP3      H2             -9.0641694112       -4.6056779730        9.8134675611  SOLV      591             0.0000000000
      1807       595  TIP3      OH2            -7.8088694112        0.0025520270       15.7321875611  SOLV      592             0.0000000000
      1808       595  TIP3      H1             -7.4463994112        0.8571120270       15.4986275611  SOLV      592             0.0000000000
      1809       595  TIP3      H2             -7.2773494112       -0.2892879730       16.4728175611  SOLV      592             0.0000000000
      1810       596  TIP3      OH2            -9.6404494112        0.8749520270        8.9622975611  SOLV      593             0.0000000000
      1811       596  TIP3      H1            -10.5903994112        0.9806920270        9.0136275611  SOLV      593             0.0000000000
      1812       596  TIP3      H2             -9.2886394112        1.6956920270        9.3070475611  SOLV      593             0.0000000000
      1813       597  TIP3      OH2            -4.2647894112       -3.8983779730       15.4327475611  SOLV      594             0.0000000000
      1814       597  TIP3      H1             -4.6906594112       -4.1262079730       16.2591475611  SOLV      594             0.0000000000
      1815       597  TIP3      H2             -3.6842094112       -4.6371979730       15.2502775611  SOLV      594             0.0000000000
      1816       598  TIP3      OH2            -2.0618994112       -2.9693279730        4.5066475611  SOLV      595             0.0000000000
      1817       598  TIP3      H1             -1.7085894112       -3.3493479730        5.3109975611  SOLV      595             0.0000000000
      1818       598  TIP3      H2             -3.0105494112       -3.0628479730        4.5935775611  SOLV      595             0.0000000000
      1819       599  TIP3      OH2             2.4415405888        1.5099220270        4.7076675611  SOLV      596             0.0000000000
      1820       599  TIP3      H1              3.1853305888        2.0959720270        4.5678275611  SOLV      596             0.0000000000
      1821       599  TIP3      H2              1.7473505888        2.0785020270        5.0409075611  SOLV      596             0.0000000000
      1822       600  TIP3      OH2            -1.1959694112       -4.2971279730        6.7334375611  SOLV      597             0.0000000000
      1823       600  TIP3      H1             -1.4732094112       -5.0251979730        7.2895475611  SOLV      597             0.0000000000
      1824       600  TIP3      H2             -0.2686694112       -4.1779279730        6.9386975611  SOLV      597             0.0000000000
      1825       601  TIP3      OH2            -7.9711194112       -1.8577179730        2.9536475611  SOLV      598             0.0000000000
      1826       601  TIP3      H1             -7.7321394112       -2.6059079730        2.4065375611  SOLV      598             0.0000000000
      1827       601  TIP3      H2             -8.2399894112       -2.2455479730        3.7864275611  SOLV      598             0.0000000000
      1828       602  TIP3      OH2            -9.0340594112       -2.2873379730        5.4099075611  SOLV      599             0.0000000000
      1829       602  TIP3      H1             -8.8872594112       -2.8073579730        6.1999975611  SOLV      599             0.0000000000
      1830       602  TIP3      H2             -9.0368894112       -1.3805779730        5.7164975611  SOLV      599             0.0000000000
      1831       603  TIP3      OH2           -12.5809494112       -5.0350079730        5.9204475611  SOLV      600             0.0000000000
      1832       603  TIP3      H1            -13.2670194112       -4.6827579730        6.4874175611  SOLV      600             0.0000000000
      1833       603  TIP3      H2            -12.0581594112       -4.2720479730        5.6738775611  SOLV      600             0.0000000000
      1834       604  TIP3      OH2            -3.9649494112      -12.7204579730        7.2965775611  SOLV      601             0.0000000000
      1835       604  TIP3      H1             -3.7451194112      -12.2489179730        6.4931175611  SOLV      601             0.0000000000
      1836       604  TIP3      H2             -3.4065494112      -12.3261979730        7.9666375611  SOLV      601             0.0000000000
      1837       605  TIP3      OH2            -6.2963394112       -0.5899779730        6.1593275611  SOLV      602             0.0000000000
      1838       605  TIP3      H1             -7.1127294112       -0.0930079730        6.2117575611  SOLV      602             0.0000000000
      1839       605  TIP3      H2             -5.7667094112       -0.1146279730        5.5192075611  SOLV      602             0.0000000000
      1840       606  TIP3      OH2            -6.7649594112      -10.9925779730        8.1314175611  SOLV      603             0.0000000000
      1841       606  TIP3      H1             -5.9526994112      -10.4882579730        8.1775875611  SOLV      603             0.0000000000
      1842       606  TIP3      H2             -7.0096594112      -11.1376079730        9.0453775611  SOLV      603             0.0000000000
      1843       607  TIP3      OH2            -5.8812894112      -13.9112779730        9.0695275611  SOLV      604             0.0000000000
      1844       607  TIP3      H1             -6.2279394112      -13.2942179730        9.7139575611  SOLV      604             0.0000000000
      1845       607  TIP3      H2             -5.2225994112      -13.4107079730        8.5880775611  SOLV      604             0.0000000000
      1846       608  TIP3      OH2            -8.9580294112        0.4537420270        6.1410175611  SOLV      605             0.0000000000
      1847       608  TIP3      H1             -8.7971594112        1.2534920270        5.6402775611  SOLV      605             0.0000000000
      1848       608  TIP3      H2             -9.1552494112        0.7603420270        7.0260775611  SOLV      605             0.0000000000
      1849       609  TIP3      OH2           -10.2235894112      -12.8483379730        5.7567775611  SOLV      606             0.0000000000
      1850       609  TIP3      H1            -10.3071094112      -11.9600279730        6.1034175611  SOLV      606             0.0000000000
      1851       609  TIP3      H2             -9.3335594112      -13.1136679730        5.9884575611  SOLV      606             0.0000000000
      1852       610  TIP3      OH2            -1.4226394112       -8.3491779730       12.2467775611  SOLV      607             0.0000000000
      1853       610  TIP3      H1             -2.2201994112       -8.7641579730       11.9182775611  SOLV      607             0.0000000000
      1854       610  TIP3      H2             -0.9775294112       -9.0398079730       12.7378275611  SOLV      607             0.0000000000
      1855       611  TIP3      OH2           -11.9650594112       -2.4211179730        4.8172275611  SOLV      608             0.0000000000
      1856       611  TIP3      H1            -11.3729094112       -1.7216379730        5.0934675611  SOLV      608             0.0000000000
      1857       611  TIP3      H2            -11.5057594112       -2.8541679730        4.0976875611  SOLV      608             0.0000000000
      1858       612  TIP3      OH2           -13.6491394112       -9.7568179730        3.9331675611  SOLV      609             0.0000000000
      1859       612  TIP3      H1            -13.6938794112       -8.8175079730        4.1118675611  SOLV      609             0.0000000000
      1860       612  TIP3      H2            -14.5368194112       -9.9923279730        3.6633775611  SOLV      609             0.0000000000
      1861       613  TIP3      OH2            -0.3361794112        0.9070720270       13.8691275611  SOLV      610             0.0000000000
      1862       613  TIP3      H1             -0.4917494112        1.5855120270       13.2120575611  SOLV      610             0.0000000000
      1863       613  TIP3      H2              0.5964605888        0.9790020270       14.0721875611  SOLV      610             0.0000000000
      1864       614  TIP3      OH2           -12.8409394112      -14.9751579730       12.6062675611  SOLV      611             0.0000000000
      1865       614  TIP3      H1            -13.0699594112      -14.9159079730       11.6787675611  SOLV      611             0.0000000000
      1866       614  TIP3      H2            -13.2835994112      -15.7666079730       12.9126775611  SOLV      611             0.0000000000
      1867       615  TIP3      OH2           -13.9106094112       -1.0344479730        8.7668475611  SOLV      612             0.0000000000
      1868       615  TIP3      H1            -14.7427494112       -0.5621779730        8.7939875611  SOLV      612             0.0000000000
      1869       615  TIP3      H2            -13.3647794112       -0.5246879730        8.1681575611  SOLV      612             0.0000000000
      1870       616  TIP3      OH2            -5.9329394112        0.0054220270        3.0922475611  SOLV      613             0.0000000000
      1871       616  TIP3      H1             -6.5768394112       -0.6257179730        3.4136175611  SOLV      613             0.0000000000
      1872       616  TIP3      H2             -5.1711094112       -0.5257779730        2.8605975611  SOLV      613             0.0000000000
      1873       617  TIP3      OH2            -1.3286494112       -0.1775879730        3.3260475611  SOLV      614             0.0000000000
      1874       617  TIP3      H1             -1.0456094112       -0.9720679730        3.7787375611  SOLV      614             0.0000000000
      1875       617  TIP3      H2             -0.5888594112        0.0555120270        2.7651575611  SOLV      614             0.0000000000
      1876       618  TIP3      OH2           -10.3739194112       -4.2680979730        3.1835375611  SOLV      615             0.0000000000
      1877       618  TIP3      H1            -10.3095094112       -5.0621379730        3.7141775611  SOLV      615             0.0000000000
      1878       618  TIP3      H2             -9.7209994112       -4.3868179730        2.4937375611  SOLV      615             0.0000000000
      1879       619  TIP3      OH2            -5.0215794112       -3.2209279730        2.9193375611  SOLV      616             0.0000000000
      1880       619  TIP3      H1             -5.2901694112       -3.0407179730        3.8202275611  SOLV      616             0.0000000000
      1881       619  TIP3      H2             -5.2280194112       -4.1463079730        2.7879175611  SOLV      616             0.0000000000
      1882       620  TIP3      OH2            -9.2245394112       -6.2954779730        5.4893375611  SOLV      617             0.0000000000
      1883       620  TIP3      H1             -9.6843394112       -6.7796479730        6.1751875611  SOLV      617             0.0000000000
      1884       620  TIP3      H2             -8.9696694112       -6.9639379730        4.8533875611  SOLV      617             0.0000000000
      1885       621  TIP3      OH2            -8.1534994112       -8.0522979730        3.7516575611  SOLV      618             0.0000000000
      1886       621  TIP3      H1             -8.3339994112       -8.2071779730        2.8244875611  SOLV      618             0.0000000000
      1887       621  TIP3      H2             -7.2034494112       -7.9444279730        3.7964475611  SOLV      618             0.0000000000
      1888       622  TIP3      OH2             1.2363305888       -5.6978779730        3.1974675611  SOLV      619             0.0000000000
      1889       622  TIP3      H1              0.9628105888       -6.1223279730        2.3842975611  SOLV      619             0.0000000000
      1890       622  TIP3      H2              1.2757405888       -4.7664279730        2.9805075611  SOLV      619             0.0000000000
      1891       623  TIP3      OH2            -8.2563294112        2.6380720270        4.7530175611  SOLV      620             0.0000000000
      1892       623  TIP3      H1             -7.3232594112        2.7959420270        4.8968575611  SOLV      620             0.0000000000
      1893       623  TIP3      H2             -8.5204494112        3.3133720270        4.1281675611  SOLV      620             0.0000000000
      1894       624  TIP3      OH2           -14.6878394112       -2.7255479730        4.2358275611  SOLV      621             0.0000000000
      1895       624  TIP3      H1            -13.7739194112       -2.6466579730        4.5092175611  SOLV      621             0.0000000000
      1896       624  TIP3      H2            -14.6805294112       -3.4125879730        3.5693875611  SOLV      621             0.0000000000
      1897       625  TIP3      OH2           -15.1688594112        0.7480020270       11.1178375611  SOLV      622             0.0000000000
      1898       625  TIP3      H1            -15.5031794112       -0.1322679730       11.2898575611  SOLV      622             0.0000000000
      1899       625  TIP3      H2            -14.9466194112        1.0935020270       11.9823975611  SOLV      622             0.0000000000
      1900       626  TIP3      OH2             2.3796205888        1.5576420270       14.0983175611  SOLV      623             0.0000000000
      1901       626  TIP3      H1              2.3582905888        1.7424820270       15.0372575611  SOLV      623             0.0000000000
      1902       626  TIP3      H2              3.0702405888        2.1260420270       13.7574575611  SOLV      623             0.0000000000
      1903       627  TIP3      OH2             1.6946105888       -4.8290679730        7.1725075611  SOLV      624             0.0000000000
      1904       627  TIP3      H1              2.5447505888       -4.4079779730        7.2996675611  SOLV      624             0.0000000000
      1905       627  TIP3      H2              1.7001205888       -5.5690579730        7.7796475611  SOLV      624             0.0000000000
      1906       628  TIP3      OH2             2.0891705888       -6.7753279730        8.9960775611  SOLV      625             0.0000000000
      1907       628  TIP3      H1              1.3626305888       -7.2550679730        9.3938375611  SOLV      625             0.0000000000
      1908       628  TIP3      H2              2.6705005888       -6.5698579730        9.7282375611  SOLV      625             0.0000000000
      1909       629  TIP3      OH2             1.8482905888       -3.9905779730       13.9438375611  SOLV      626             0.0000000000
      1910       629  TIP3      H1              2.6817105888       -4.3685779730       13.6631975611  SOLV      626             0.0000000000
      1911       629  TIP3      H2              1.9603205888       -3.0474579730       13.8247475611  SOLV      626             0.0000000000
      1912       630  TIP3      OH2             2.3574805888       -6.8744779730        5.3872075611  SOLV      627             0.0000000000
      1913       630  TIP3      H1              1.8355905888       -6.5180679730        4.6682975611  SOLV      627             0.0000000000
      1914       630  TIP3      H2              2.3244005888       -6.1996979730        6.0652975611  SOLV      627             0.0000000000
      1915       631  TIP3      OH2             0.7063805888       -9.6349179730        3.9379175611  SOLV      628             0.0000000000
      1916       631  TIP3      H1              0.8028205888       -8.9682179730        3.2578875611  SOLV      628             0.0000000000
      1917       631  TIP3      H2              0.5663405888      -10.4502879730        3.4564675611  SOLV      628             0.0000000000
      1918       632  TIP3      OH2            -0.1241494112       -8.2546779730        9.5589475611  SOLV      629             0.0000000000
      1919       632  TIP3      H1             -0.2742694112       -9.1998179730        9.5387275611  SOLV      629             0.0000000000
      1920       632  TIP3      H2             -0.4776994112       -7.9735379730       10.4028575611  SOLV      629             0.0000000000
      1921       633  TIP3      OH2           -15.0889094112       -6.1764579730       13.5693275611  SOLV      630             0.0000000000
      1922       633  TIP3      H1            -14.9046194112       -6.2582879730       12.6336175611  SOLV      630             0.0000000000
      1923       633  TIP3      H2            -14.2396194112       -6.3007579730       13.9929675611  SOLV      630             0.0000000000
      1924       634  TIP3      OH2            -0.0462394112      -12.2269379730        3.0554675611  SOLV      631             0.0000000000
      1925       634  TIP3      H1              0.5643405888      -12.5982579730        3.6922875611  SOLV      631             0.0000000000
      1926       634  TIP3      H2             -0.8830894112      -12.6482479730        3.2514675611  SOLV      631             0.0000000000
      1927       635  TIP3      OH2            -0.4136694112      -10.6720979730        8.0214575611  SOLV      632             0.0000000000
      1928       635  TIP3      H1             -0.1339594112      -11.5790579730        8.1456275611  SOLV      632             0.0000000000
      1929       635  TIP3      H2              0.3455005888      -10.2379479730        7.6323775611  SOLV      632             0.0000000000
      1930       636  TIP3      OH2             0.1981605888      -10.0903579730       13.4573475611  SOLV      633             0.0000000000
      1931       636  TIP3      H1              1.1309605888       -9.8783679730       13.4229475611  SOLV      633             0.0000000000
      1932       636  TIP3      H2             -0.0370894112       -9.9891479730       14.3796475611  SOLV      633             0.0000000000
      1933       637  TIP3      OH2             0.1998105888      -13.4091679730        8.0696575611  SOLV      634             0.0000000000
      1934       637  TIP3      H1              0.3823105888      -13.8580179730        8.8951575611  SOLV      634             0.0000000000
      1935       637  TIP3      H2             -0.3998994112      -13.9937279730        7.6061175611  SOLV      634             0.0000000000
      1936       638  TIP3      OH2           -14.2701794112      -12.5937979730       12.6014975611  SOLV      635             0.0000000000
      1937       638  TIP3      H1            -13.8250194112      -13.3855479730       12.9034675611  SOLV      635             0.0000000000
      1938       638  TIP3      H2            -13.8038794112      -11.8772779730       13.0320575611  SOLV      635             0.0000000000
      1939       639  TIP3      OH2           -15.9661494112       -9.5944979730       13.6705175611  SOLV      636             0.0000000000
      1940       639  TIP3      H1            -15.4741694112       -9.8154479730       12.8797175611  SOLV      636             0.0000000000
      1941       639  TIP3      H2            -15.6040594112       -8.7541579730       13.9514675611  SOLV      636             0.0000000000
      1942       640  TIP3      OH2           -15.6524994112      -13.3365879730        7.7247575611  SOLV      637             0.0000000000
      1943       640  TIP3      H1            -16.5776594112      -13.1279279730        7.5953075611  SOLV      637             0.0000000000
      1944       640  TIP3      H2            -15.1985094112      -12.8525079730        7.0349875611  SOLV      637             0.0000000000
      1945       641  TIP3      OH2            -0.8817794112        1.6475820270        9.6704975611  SOLV      638             0.0000000000
      1946       641  TIP3      H1             -0.2294894112        1.2997920270        9.0624075611  SOLV      638             0.0000000000
      1947       641  TIP3      H2             -0.3713994112        2.1359020270       10.3164675611  SOLV      638             0.0000000000
      1948       642  TIP3      OH2           -10.6738094112        2.4076220270       15.5492375611  SOLV      639             0.0000000000
      1949       642  TIP3      H1            -11.5385894112        2.4794720270       15.9532475611  SOLV      639             0.0000000000
      1950       642  TIP3      H2            -10.7289094112        2.9543520270       14.7654875611  SOLV      639             0.0000000000
      1951       643  TIP3      OH2            -3.6356194112        1.1734720270       15.6698675611  SOLV      640             0.0000000000
      1952       643  TIP3      H1             -4.5402494112        1.3384920270       15.4040775611  SOLV      640             0.0000000000
      1953       643  TIP3      H2             -3.2067594112        2.0266920270       15.6042075611  SOLV      640             0.0000000000
      1954       644  TIP3      OH2            -1.0314294112        2.7433820270       15.9646475611  SOLV      641             0.0000000000
      1955       644  TIP3      H1             -1.2132294112        3.6592720270       15.7541375611  SOLV      641             0.0000000000
      1956       644  TIP3      H2             -0.8546494112        2.3330920270       15.1181075611  SOLV      641             0.0000000000
      1957       645  TIP3      OH2           -13.7262594112        1.4304820270       13.4296975611  SOLV      642             0.0000000000
      1958       645  TIP3      H1            -13.7446594112        1.0049920270       14.2869275611  SOLV      642             0.0000000000
      1959       645  TIP3      H2            -12.9214694112        1.1119820270       13.0209175611  SOLV      642             0.0000000000
      1960       646  TIP3      OH2           -11.5849494112        0.1403520270       12.0846875611  SOLV      643             0.0000000000
      1961       646  TIP3      H1            -11.8038794112       -0.7759079730       12.2542875611  SOLV      643             0.0000000000
      1962       646  TIP3      H2            -10.7607294112        0.2803920270       12.5508275611  SOLV      643             0.0000000000
      1963       647  TIP3      OH2            -9.0476994112        0.6102820270       12.9334875611  SOLV      644             0.0000000000
      1964       647  TIP3      H1             -8.8351294112       -0.2778179730       12.6465775611  SOLV      644             0.0000000000
      1965       647  TIP3      H2             -8.9831894112        0.5760520270       13.8878875611  SOLV      644             0.0000000000
      1966       648  TIP3      OH2            -5.5393294112      -13.7256579730       12.0778175611  SOLV      645             0.0000000000
      1967       648  TIP3      H1             -6.2136494112      -14.3550979730       12.3333975611  SOLV      645             0.0000000000
      1968       648  TIP3      H2             -4.9754094112      -14.2097679730       11.4746075611  SOLV      645             0.0000000000
      1969       649  TIP3      OH2            -0.3966094112      -15.6182579730       12.1905275611  SOLV      646             0.0000000000
      1970       649  TIP3      H1              0.2071505888      -15.0707179730       11.6886275611  SOLV      646             0.0000000000
      1971       649  TIP3      H2             -1.2664094112      -15.2992179730       11.9499375611  SOLV      646             0.0000000000
      1972       650  TIP3      OH2             1.3304305888      -14.4793879730       10.5236175611  SOLV      647             0.0000000000
      1973       650  TIP3      H1              1.9421805888      -14.9938179730        9.9969775611  SOLV      647             0.0000000000
      1974       650  TIP3      H2              1.7127705888      -13.6021779730       10.5470575611  SOLV      647             0.0000000000
      1975       651  TIP3      OH2           -13.2125794112      -15.0916279730        9.8998075611  SOLV      648             0.0000000000
      1976       651  TIP3      H1            -13.9895994112      -15.3261379730        9.3923975611  SOLV      648             0.0000000000
      1977       651  TIP3      H2            -12.6822194112      -15.8884179730        9.9086075611  SOLV      648             0.0000000000
      1978       652  TIP3      OH2           -14.3762394112      -15.2938179730        5.7034175611  SOLV      649             0.0000000000
      1979       652  TIP3      H1            -13.9371694112      -14.6827679730        5.1117675611  SOLV      649             0.0000000000
      1980       652  TIP3      H2            -15.0099994112      -14.7554079730        6.1774175611  SOLV      649             0.0000000000
      1981       653  TIP3      OH2            -8.6333194112      -15.1649179730        9.7131175611  SOLV      650             0.0000000000
      1982       653  TIP3      H1             -7.7589794112      -14.7764879730        9.6835475611  SOLV      650             0.0000000000
      1983       653  TIP3      H2             -8.7692394112      -15.3801379730       10.6358375611  SOLV      650             0.0000000000
      1984       654  TIP3      OH2            -3.0764794112      -15.1349379730       11.3622875611  SOLV      651             0.0000000000
      1985       654  TIP3      H1             -3.0003194112      -15.0397779730       10.4128875611  SOLV      651             0.0000000000
      1986       654  TIP3      H2             -3.3515594112      -16.0426479730       11.4911975611  SOLV      651             0.0000000000
      1987       655  TIP3      OH2            -1.7232194112      -15.1091579730        7.0547875611  SOLV      652             0.0000000000
      1988       655  TIP3      H1             -2.4261094112      -14.4942379730        6.8449275611  SOLV      652             0.0000000000
      1989       655  TIP3      H2             -2.1680794112      -15.9464879730        7.1858775611  SOLV      652             0.0000000000
      1990       656  TIP3      OH2           -14.4752894112        0.6544020270        6.6009275611  SOLV      653             0.0000000000
      1991       656  TIP3      H1            -15.1602994112        0.6162920270        5.9334375611  SOLV      653             0.0000000000
      1992       656  TIP3      H2            -14.4715694112        1.5671620270        6.8891375611  SOLV      653             0.0000000000
      1993       657  TIP3      OH2           -12.5153294112      -13.3776679730        4.1458275611  SOLV      654             0.0000000000
      1994       657  TIP3      H1            -12.0239894112      -14.0074279730        3.6183775611  SOLV      654             0.0000000000
      1995       657  TIP3      H2            -11.8916994112      -13.0817279730        4.8089475611  SOLV      654             0.0000000000
      1996       658  TIP3      OH2            -7.4893194112      -13.0845179730        6.6028775611  SOLV      655             0.0000000000
      1997       658  TIP3      H1             -7.3111894112      -13.7311979730        7.2857375611  SOLV      655             0.0000000000
      1998       658  TIP3      H2             -7.5426994112      -12.2507479730        7.0699875611  SOLV      655             0.0000000000
      1999       659  TIP3      OH2            -5.6109394112        1.8638920270        4.9985475611  SOLV      656             0.0000000000
      2000       659  TIP3      H1             -4.7449194112        2.2306320270        4.8203675611  SOLV      656             0.0000000000
      2001       659  TIP3      H2             -5.8576594112        1.4246920270        4.1846275611  SOLV      656             0.0000000000
      2002       660  TIP3      OH2             1.0980205888        1.4269220270        7.6776575611  SOLV      657             0.0000000000
      2003       660  TIP3      H1              0.9037305888        0.6791320270        7.1126175611  SOLV      657             0.0000000000
      2004       660  TIP3      H2              1.0590305888        2.1849320270        7.0944475611  SOLV      657             0.0000000000
      2005       661  TIP3      OH2           -12.6571694112        1.5744820270        3.6261375611  SOLV      658             0.0000000000
      2006       661  TIP3      H1            -12.9247094112        1.8607720270        4.4994475611  SOLV      658             0.0000000000
      2007       661  TIP3      H2            -11.8859094112        1.0284020270        3.7783875611  SOLV      658             0.0000000000
      2008       662  TIP3      OH2            14.7216805888       -5.9353979730        9.8585575611  SOLV      659             0.0000000000
      2009       662  TIP3      H1             14.8107905888       -4.9915779730        9.7262675611  SOLV      659             0.0000000000
      2010       662  TIP3      H2             14.0834405888       -6.2107579730        9.2004975611  SOLV      659             0.0000000000
      2011       663  TIP3      OH2             6.9466205888       -2.6162279730       13.4052775611  SOLV      660             0.0000000000
      2012       663  TIP3      H1              6.5771405888       -3.4181779730       13.0357075611  SOLV      660             0.0000000000
      2013       663  TIP3      H2              7.8877305888       -2.7847379730       13.4516175611  SOLV      660             0.0000000000
      2014       664  TIP3      OH2             3.5566705888       -8.9559679730        8.7981575611  SOLV      661             0.0000000000
      2015       664  TIP3      H1              3.1090105888       -8.1100979730        8.7798075611  SOLV      661             0.0000000000
      2016       664  TIP3      H2              2.9957905888       -9.5355479730        8.2826675611  SOLV      661             0.0000000000
      2017       665  TIP3      OH2             4.2672805888       -6.7940079730       10.9239575611  SOLV      662             0.0000000000
      2018       665  TIP3      H1              4.4806305888       -7.5638479730       11.4512575611  SOLV      662             0.0000000000
      2019       665  TIP3      H2              5.0050405888       -6.7043379730       10.3207175611  SOLV      662             0.0000000000
      2020       666  TIP3      OH2            14.4723805888        1.3628820270       11.7909275611  SOLV      663             0.0000000000
      2021       666  TIP3      H1             15.0920205888        0.6863520270       11.5178475611  SOLV      663             0.0000000000
      2022       666  TIP3      H2             14.2641205888        1.1449620270       12.6994175611  SOLV      663             0.0000000000
      2023       667  TIP3      OH2            12.0442505888       -4.2481879730       13.6834775611  SOLV      664             0.0000000000
      2024       667  TIP3      H1             12.3480405888       -4.9340479730       13.0888875611  SOLV      664             0.0000000000
      2025       667  TIP3      H2             12.7656505888       -4.1293179730       14.3012775611  SOLV      664             0.0000000000
      2026       668  TIP3      OH2            15.1849505888       -9.8539479730       14.0109575611  SOLV      665             0.0000000000
      2027       668  TIP3      H1             15.3275405888      -10.8002479730       14.0311175611  SOLV      665             0.0000000000
      2028       668  TIP3      H2             15.0788505888       -9.6469679730       13.0824475611  SOLV      665             0.0000000000
      2029       669  TIP3      OH2             8.3397805888      -11.7523079730       11.2834375611  SOLV      666             0.0000000000
      2030       669  TIP3      H1              8.3828905888      -10.8924579730       10.8650675611  SOLV      666             0.0000000000
      2031       669  TIP3      H2              7.8821905888      -12.3048379730       10.6497575611  SOLV      666             0.0000000000
      2032       670  TIP3      OH2             4.9599305888       -9.3557279730       12.0455775611  SOLV      667             0.0000000000
      2033       670  TIP3      H1              5.6135905888       -9.9055579730       12.4775875611  SOLV      667             0.0000000000
      2034       670  TIP3      H2              4.9838605888       -9.6298279730       11.1287775611  SOLV      667             0.0000000000
      2035       671  TIP3      OH2            10.1163805888       -7.8055979730       11.2607275611  SOLV      668             0.0000000000
      2036       671  TIP3      H1             10.7324805888       -8.3320579730       11.7701275611  SOLV      668             0.0000000000
      2037       671  TIP3      H2              9.5302605888       -8.4457279730       10.8570875611  SOLV      668             0.0000000000
      2038       672  TIP3      OH2             7.1499705888      -12.8344679730       15.3575175611  SOLV      669             0.0000000000
      2039       672  TIP3      H1              6.9311405888      -12.3044079730       14.5911175611  SOLV      669             0.0000000000
      2040       672  TIP3      H2              6.4820605888      -12.6079179730       16.0046575611  SOLV      669             0.0000000000
      2041       673  TIP3      OH2            14.5189505888       -3.3343579730        8.9014275611  SOLV      670             0.0000000000
      2042       673  TIP3      H1             14.2234605888       -3.6571279730        8.0501175611  SOLV      670             0.0000000000
      2043       673  TIP3      H2             14.1947305888       -2.4346879730        8.9426875611  SOLV      670             0.0000000000
      2044       674  TIP3      OH2             9.7191105888       -5.1588979730       15.6448875611  SOLV      671             0.0000000000
      2045       674  TIP3      H1              8.9790205888       -4.5607479730       15.7484075611  SOLV      671             0.0000000000
      2046       674  TIP3      H2             10.4330605888       -4.6049379730       15.3292475611  SOLV      671             0.0000000000
      2047       675  TIP3      OH2             6.7437005888      -10.9422879730       13.3097375611  SOLV      672             0.0000000000
      2048       675  TIP3      H1              7.3573305888      -10.3095279730       13.6829775611  SOLV      672             0.0000000000
      2049       675  TIP3      H2              7.2557705888      -11.4147879730       12.6534275611  SOLV      672             0.0000000000
      2050       676  TIP3      OH2             4.2476305888       -3.5238079730        7.2139675611  SOLV      673             0.0000000000
      2051       676  TIP3      H1              3.9757205888       -3.2947079730        6.3252575611  SOLV      673             0.0000000000
      2052       676  TIP3      H2              4.2932005888       -2.6859279730        7.6744975611  SOLV      673             0.0000000000
      2053       677  TIP3      OH2            11.1764405888      -15.5289579730       12.8100075611  SOLV      674             0.0000000000
      2054       677  TIP3      H1             11.0588605888      -16.4773579730       12.7558375611  SOLV      674             0.0000000000
      2055       677  TIP3      H2             10.3214505888      -15.1963479730       13.0831175611  SOLV      674             0.0000000000
      2056       678  TIP3      OH2            13.4429305888       -6.6913979730        7.3105875611  SOLV      675             0.0000000000
      2057       678  TIP3      H1             12.7314805888       -6.1564279730        6.9586375611  SOLV      675             0.0000000000
      2058       678  TIP3      H2             14.1338905888       -6.6361879730        6.6504775611  SOLV      675             0.0000000000
      2059       679  TIP3      OH2            13.4968505888       -8.2339679730        4.3490875611  SOLV      676             0.0000000000
      2060       679  TIP3      H1             14.1978405888       -8.2112779730        5.0004875611  SOLV      676             0.0000000000
      2061       679  TIP3      H2             13.7991405888       -8.8619979730        3.6930175611  SOLV      676             0.0000000000
      2062       680  TIP3      OH2             8.4940705888       -5.8514479730       10.1446775611  SOLV      677             0.0000000000
      2063       680  TIP3      H1              8.1635905888       -6.2221079730        9.3263775611  SOLV      677             0.0000000000
      2064       680  TIP3      H2              9.0824805888       -6.5220479730       10.4915075611  SOLV      677             0.0000000000
      2065       681  TIP3      OH2             9.8608205888       -2.4233879730       12.8258975611  SOLV      678             0.0000000000
      2066       681  TIP3      H1              9.7659505888       -3.0020779730       12.0693575611  SOLV      678             0.0000000000
      2067       681  TIP3      H2             10.5901805888       -2.7948179730       13.3221775611  SOLV      678             0.0000000000
      2068       682  TIP3      OH2             8.8606205888       -7.0828879730       13.7781775611  SOLV      679             0.0000000000
      2069       682  TIP3      H1              9.4258705888       -6.9614679730       13.0152975611  SOLV      679             0.0000000000
      2070       682  TIP3      H2              9.1795105888       -6.4453879730       14.4170275611  SOLV      679             0.0000000000
      2071       683  TIP3      OH2            15.1698405888       -1.5796979730       14.5122275611  SOLV      680             0.0000000000
      2072       683  TIP3      H1             14.9295005888       -0.9173879730       15.1601475611  SOLV      680             0.0000000000
      2073       683  TIP3      H2             14.9716605888       -2.4141779730       14.9371875611  SOLV      680             0.0000000000
      2074       684  TIP3      OH2            13.4461405888       -0.5829279730        9.3826075611  SOLV      681             0.0000000000
      2075       684  TIP3      H1             13.9199005888       -0.2872979730       10.1600275611  SOLV      681             0.0000000000
      2076       684  TIP3      H2             12.8830705888        0.1552320270        9.1495675611  SOLV      681             0.0000000000
      2077       685  TIP3      OH2             7.4843405888       -6.7820179730        7.7339575611  SOLV      682             0.0000000000
      2078       685  TIP3      H1              7.1924705888       -6.0138479730        7.2430875611  SOLV      682             0.0000000000
      2079       685  TIP3      H2              6.8098605888       -7.4413979730        7.5710975611  SOLV      682             0.0000000000
      2080       686  TIP3      OH2             3.3276205888       -1.6387179730       13.4329575611  SOLV      683             0.0000000000
      2081       686  TIP3      H1              4.2736805888       -1.7830179730       13.4139075611  SOLV      683             0.0000000000
      2082       686  TIP3      H2              3.2152505888       -0.8544379730       13.9700775611  SOLV      683             0.0000000000
      2083       687  TIP3      OH2            12.9184505888        2.3735420270        7.7975275611  SOLV      684             0.0000000000
      2084       687  TIP3      H1             12.8430505888        2.2522620270        6.8510475611  SOLV      684             0.0000000000
      2085       687  TIP3      H2             12.9513205888        3.3228120270        7.9159875611  SOLV      684             0.0000000000
      2086       688  TIP3      OH2             6.5718305888        1.1622420270        9.5784275611  SOLV      685             0.0000000000
      2087       688  TIP3      H1              6.7238705888        0.8142820270       10.4570775611  SOLV      685             0.0000000000
      2088       688  TIP3      H2              5.7208705888        0.8059720270        9.3231475611  SOLV      685             0.0000000000
      2089       689  TIP3      OH2            15.6888605888        1.4532720270        7.5489875611  SOLV      686             0.0000000000
      2090       689  TIP3      H1             14.7538405888        1.5534620270        7.7276875611  SOLV      686             0.0000000000
      2091       689  TIP3      H2             15.9690505888        0.7438720270        8.1273075611  SOLV      686             0.0000000000
      2092       690  TIP3      OH2             8.4452005888      -14.6255079730       13.5876375611  SOLV      687             0.0000000000
      2093       690  TIP3      H1              7.5835705888      -14.7126879730       13.1799275611  SOLV      687             0.0000000000
      2094       690  TIP3      H2              8.4227705888      -13.7694979730       14.0153975611  SOLV      687             0.0000000000
      2095       691  TIP3      OH2            12.7697105888      -12.4111279730        4.2474175611  SOLV      688             0.0000000000
      2096       691  TIP3      H1             12.5161905888      -12.3919679730        5.1702275611  SOLV      688             0.0000000000
      2097       691  TIP3      H2             12.5129205888      -13.2825879730        3.9460375611  SOLV      688             0.0000000000
      2098       692  TIP3      OH2             8.5331205888       -9.4390479730        9.5946575611  SOLV      689             0.0000000000
      2099       692  TIP3      H1              7.6404105888       -9.7794379730        9.5360375611  SOLV      689             0.0000000000
      2100       692  TIP3      H2              8.9837805888       -9.8159579730        8.8389775611  SOLV      689             0.0000000000
      2101       693  TIP3      OH2            14.0686705888       -9.0230179730        8.4117375611  SOLV      690             0.0000000000
      2102       693  TIP3      H1             13.6597005888       -8.2081579730        8.1202175611  SOLV      690             0.0000000000
      2103       693  TIP3      H2             14.7892905888       -9.1630079730        7.7974475611  SOLV      690             0.0000000000
      2104       694  TIP3      OH2            15.0734405888       -9.5769779730       11.2257075611  SOLV      691             0.0000000000
      2105       694  TIP3      H1             14.8778905888       -8.9712979730       10.5107675611  SOLV      691             0.0000000000
      2106       694  TIP3      H2             15.2547005888      -10.4104579730       10.7913375611  SOLV      691             0.0000000000
      2107       695  TIP3      OH2             9.6520005888      -11.9654779730        3.3484575611  SOLV      692             0.0000000000
      2108       695  TIP3      H1              9.2210705888      -12.4104679730        4.0781975611  SOLV      692             0.0000000000
      2109       695  TIP3      H2              8.9338705888      -11.5938479730        2.8362075611  SOLV      692             0.0000000000
      2110       696  TIP3      OH2             2.8943405888      -12.2235279730       10.4003275611  SOLV      693             0.0000000000
      2111       696  TIP3      H1              3.5251105888      -12.2523179730       11.1197175611  SOLV      693             0.0000000000
      2112       696  TIP3      H2              3.3437705888      -12.6486579730        9.6699175611  SOLV      693             0.0000000000
      2113       697  TIP3      OH2            11.1146505888      -12.0112979730       10.6810675611  SOLV      694             0.0000000000
      2114       697  TIP3      H1             10.2037605888      -11.9546179730       10.9696675611  SOLV      694             0.0000000000
      2115       697  TIP3      H2             11.6199405888      -12.0717479730       11.4917875611  SOLV      694             0.0000000000
      2116       698  TIP3      OH2             5.9429905888      -10.3826679730        9.5078275611  SOLV      695             0.0000000000
      2117       698  TIP3      H1              5.0537905888      -10.2831179730        9.1677875611  SOLV      695             0.0000000000
      2118       698  TIP3      H2              6.2394805888      -11.2243679730        9.1616175611  SOLV      695             0.0000000000
      2119       699  TIP3      OH2             9.5961705888      -10.3824079730        7.1642875611  SOLV      696             0.0000000000
      2120       699  TIP3      H1             10.5277205888      -10.2534079730        7.3425975611  SOLV      696             0.0000000000
      2121       699  TIP3      H2              9.3812005888       -9.7129779730        6.5147575611  SOLV      696             0.0000000000
      2122       700  TIP3      OH2            15.5198405888      -12.7766679730       13.9452475611  SOLV      697             0.0000000000
      2123       700  TIP3      H1             14.8430005888      -12.6453579730       14.6092175611  SOLV      697             0.0000000000
      2124       700  TIP3      H2             15.0343305888      -12.9317179730       13.1350175611  SOLV      697             0.0000000000
      2125       701  TIP3      OH2             8.2701905888       -9.1881879730        4.7308975611  SOLV      698             0.0000000000
      2126       701  TIP3      H1              7.7277005888       -9.5678079730        4.0396575611  SOLV      698             0.0000000000
      2127       701  TIP3      H2              9.1036805888       -8.9937179730        4.3023075611  SOLV      698             0.0000000000
      2128       702  TIP3      OH2             7.4365905888      -13.0873879730        8.9865075611  SOLV      699             0.0000000000
      2129       702  TIP3      H1              7.1195405888      -13.9898579730        8.9510475611  SOLV      699             0.0000000000
      2130       702  TIP3      H2              8.2180005888      -13.0856479730        8.4336675611  SOLV      699             0.0000000000
      2131       703  TIP3      OH2            11.0612105888      -10.8353879730       14.9820675611  SOLV      700             0.0000000000
      2132       703  TIP3      H1             10.2257405888      -10.3814379730       15.0923075611  SOLV      700             0.0000000000
      2133       703  TIP3      H2             11.5852705888      -10.5595379730       15.7340575611  SOLV      700             0.0000000000
      2134       704  TIP3      OH2            11.6054705888       -4.6226179730        6.6667075611  SOLV      701             0.0000000000
      2135       704  TIP3      H1             10.8605705888       -5.1300879730        6.3444975611  SOLV      701             0.0000000000
      2136       704  TIP3      H2             11.4711905888       -4.5738179730        7.6131875611  SOLV      701             0.0000000000
      2137       705  TIP3      OH2            15.5031505888      -11.8086279730        4.8659675611  SOLV      702             0.0000000000
      2138       705  TIP3      H1             14.5645705888      -11.6970679730        4.7148475611  SOLV      702             0.0000000000
      2139       705  TIP3      H2             15.8003605888      -10.9519379730        5.1725375611  SOLV      702             0.0000000000
      2140       706  TIP3      OH2             6.7303005888       -5.3276179730       12.4364975611  SOLV      703             0.0000000000
      2141       706  TIP3      H1              7.4750205888       -5.3300479730       11.8351475611  SOLV      703             0.0000000000
      2142       706  TIP3      H2              6.8079605888       -6.1512379730       12.9180075611  SOLV      703             0.0000000000
      2143       707  TIP3      OH2            13.7308805888       -3.1641879730        5.6921675611  SOLV      704             0.0000000000
      2144       707  TIP3      H1             13.4357205888       -2.3373979730        6.0736475611  SOLV      704             0.0000000000
      2145       707  TIP3      H2             13.0278805888       -3.7834979730        5.8883075611  SOLV      704             0.0000000000
      2146       708  TIP3      OH2             9.1052405888       -1.8097979730        9.8406475611  SOLV      705             0.0000000000
      2147       708  TIP3      H1              9.6324605888       -1.0363579730        9.6405275611  SOLV      705             0.0000000000
      2148       708  TIP3      H2              8.2250905888       -1.5848779730        9.5390475611  SOLV      705             0.0000000000
      2149       709  TIP3      OH2             4.8600105888       -6.9473879730        4.4278875611  SOLV      706             0.0000000000
      2150       709  TIP3      H1              5.4760005888       -6.3206679730        4.8073675611  SOLV      706             0.0000000000
      2151       709  TIP3      H2              3.9982705888       -6.6314079730        4.6995375611  SOLV      706             0.0000000000
      2152       710  TIP3      OH2            10.5324705888       -4.1468079730        9.4170775611  SOLV      707             0.0000000000
      2153       710  TIP3      H1             10.2914705888       -3.2213679730        9.4586075611  SOLV      707             0.0000000000
      2154       710  TIP3      H2              9.7918305888       -4.6056779730        9.8134675611  SOLV      707             0.0000000000
      2155       711  TIP3      OH2            11.0471305888        0.0025520270       15.7321875611  SOLV      708             0.0000000000
      2156       711  TIP3      H1             11.4096005888        0.8571120270       15.4986275611  SOLV      708             0.0000000000
      2157       711  TIP3      H2             11.5786505888       -0.2892879730       16.4728175611  SOLV      708             0.0000000000
      2158       712  TIP3      OH2             9.2155505888        0.8749520270        8.9622975611  SOLV      709             0.0000000000
      2159       712  TIP3      H1              8.2656005888        0.9806920270        9.0136275611  SOLV      709             0.0000000000
      2160       712  TIP3      H2              9.5673605888        1.6956920270        9.3070475611  SOLV      709             0.0000000000
      2161       713  TIP3      OH2            14.5912105888       -3.8983779730       15.4327475611  SOLV      710             0.0000000000
      2162       713  TIP3      H1             14.1653405888       -4.1262079730       16.2591475611  SOLV      710             0.0000000000
      2163       713  TIP3      H2             15.1717905888       -4.6371979730       15.2502775611  SOLV      710             0.0000000000
      2164       714  TIP3      OH2            10.8848805888       -1.8577179730        2.9536475611  SOLV      711             0.0000000000
      2165       714  TIP3      H1             11.1238605888       -2.6059079730        2.4065375611  SOLV      711             0.0000000000
      2166       714  TIP3      H2             10.6160105888       -2.2455479730        3.7864275611  SOLV      711             0.0000000000
      2167       715  TIP3      OH2             9.8219405888       -2.2873379730        5.4099075611  SOLV      712             0.0000000000
      2168       715  TIP3      H1              9.9687405888       -2.8073579730        6.1999975611  SOLV      712             0.0000000000
      2169       715  TIP3      H2              9.8191105888       -1.3805779730        5.7164975611  SOLV      712             0.0000000000
      2170       716  TIP3      OH2             6.2750505888       -5.0350079730        5.9204475611  SOLV      713             0.0000000000
      2171       716  TIP3      H1              5.5889805888       -4.6827579730        6.4874175611  SOLV      713             0.0000000000
      2172       716  TIP3      H2              6.7978405888       -4.2720479730        5.6738775611  SOLV      713             0.0000000000
      2173       717  TIP3      OH2            14.8910505888      -12.7204579730        7.2965775611  SOLV      714             0.0000000000
      2174       717  TIP3      H1             15.1108805888      -12.2489179730        6.4931175611  SOLV      714             0.0000000000
      2175       717  TIP3      H2             15.4494505888      -12.3261979730        7.9666375611  SOLV      714             0.0000000000
      2176       718  TIP3      OH2            12.5596605888       -0.5899779730        6.1593275611  SOLV      715             0.0000000000
      2177       718  TIP3      H1             11.7432705888       -0.0930079730        6.2117575611  SOLV      715             0.0000000000
      2178       718  TIP3      H2             13.0892905888       -0.1146279730        5.5192075611  SOLV      715             0.0000000000
      2179       719  TIP3      OH2            12.0910405888      -10.9925779730        8.1314175611  SOLV      716             0.0000000000
      2180       719  TIP3      H1             12.9033005888      -10.4882579730        8.1775875611  SOLV      716             0.0000000000
      2181       719  TIP3      H2             11.8463405888      -11.1376079730        9.0453775611  SOLV      716             0.0000000000
      2182       720  TIP3      OH2            12.9747105888      -13.9112779730        9.0695275611  SOLV      717             0.0000000000
      2183       720  TIP3      H1             12.6280605888      -13.2942179730        9.7139575611  SOLV      717             0.0000000000
      2184       720  TIP3      H2             13.6334005888      -13.4107079730        8.5880775611  SOLV      717             0.0000000000
      2185       721  TIP3      OH2             9.8979705888        0.4537420270        6.1410175611  SOLV      718             0.0000000000
      2186       721  TIP3      H1             10.0588405888        1.2534920270        5.6402775611  SOLV      718             0.0000000000
      2187       721  TIP3      H2              9.7007505888        0.7603420270        7.0260775611  SOLV      718             0.0000000000
      2188       722  TIP3      OH2             8.6324105888      -12.8483379730        5.7567775611  SOLV      719             0.0000000000
      2189       722  TIP3      H1              8.5488905888      -11.9600279730        6.1034175611  SOLV      719             0.0000000000
      2190       722  TIP3      H2              9.5224405888      -13.1136679730        5.9884575611  SOLV      719             0.0000000000
      2191       723  TIP3      OH2             6.8909405888       -2.4211179730        4.8172275611  SOLV      720             0.0000000000
      2192       723  TIP3      H1              7.4830905888       -1.7216379730        5.0934675611  SOLV      720             0.0000000000
      2193       723  TIP3      H2              7.3502405888       -2.8541679730        4.0976875611  SOLV      720             0.0000000000
      2194       724  TIP3      OH2             6.0150605888      -14.9751579730       12.6062675611  SOLV      721             0.0000000000
      2195       724  TIP3      H1              5.7860405888      -14.9159079730       11.6787675611  SOLV      721             0.0000000000
      2196       724  TIP3      H2              5.5724005888      -15.7666079730       12.9126775611  SOLV      721             0.0000000000
      2197       725  TIP3      OH2             4.9453905888       -1.0344479730        8.7668475611  SOLV      722             0.0000000000
      2198       725  TIP3      H1              4.1132505888       -0.5621779730        8.7939875611  SOLV      722             0.0000000000
      2199       725  TIP3      H2              5.4912205888       -0.5246879730        8.1681575611  SOLV      722             0.0000000000
      2200       726  TIP3      OH2            12.9230605888        0.0054220270        3.0922475611  SOLV      723             0.0000000000
      2201       726  TIP3      H1             12.2791605888       -0.6257179730        3.4136175611  SOLV      723             0.0000000000
      2202       726  TIP3      H2             13.6848905888       -0.5257779730        2.8605975611  SOLV      723             0.0000000000
      2203       727  TIP3      OH2             8.4820805888       -4.2680979730        3.1835375611  SOLV      724             0.0000000000
      2204       727  TIP3      H1              8.5464905888       -5.0621379730        3.7141775611  SOLV      724             0.0000000000
      2205       727  TIP3      H2              9.1350005888       -4.3868179730        2.4937375611  SOLV      724             0.0000000000
      2206       728  TIP3      OH2            13.8344205888       -3.2209279730        2.9193375611  SOLV      725             0.0000000000
      2207       728  TIP3      H1             13.5658305888       -3.0407179730        3.8202275611  SOLV      725             0.0000000000
      2208       728  TIP3      H2             13.6279805888       -4.1463079730        2.7879175611  SOLV      725             0.0000000000
      2209       729  TIP3      OH2             9.6314605888       -6.2954779730        5.4893375611  SOLV      726             0.0000000000
      2210       729  TIP3      H1              9.1716605888       -6.7796479730        6.1751875611  SOLV      726             0.0000000000
      2211       729  TIP3      H2              9.8863305888       -6.9639379730        4.8533875611  SOLV      726             0.0000000000
      2212       730  TIP3      OH2            10.7025005888       -8.0522979730        3.7516575611  SOLV      727             0.0000000000
      2213       730  TIP3      H1             10.5220005888       -8.2071779730        2.8244875611  SOLV      727             0.0000000000
      2214       730  TIP3      H2             11.6525505888       -7.9444279730        3.7964475611  SOLV      727             0.0000000000
      2215       731  TIP3      OH2             4.1681605888       -2.7255479730        4.2358275611  SOLV      728             0.0000000000
      2216       731  TIP3      H1              5.0820805888       -2.6466579730        4.5092175611  SOLV      728             0.0000000000
      2217       731  TIP3      H2              4.1754705888       -3.4125879730        3.5693875611  SOLV      728             0.0000000000
      2218       732  TIP3      OH2             2.8172205888        2.6673020270        9.3132175611  SOLV      729             0.0000000000
      2219       732  TIP3      H1              2.1699305888        2.2054720270        8.7803375611  SOLV      729             0.0000000000
      2220       732  TIP3      H2              3.1716805888        1.9956320270        9.8958375611  SOLV      729             0.0000000000
      2221       733  TIP3      OH2             3.6871405888        0.7480020270       11.1178375611  SOLV      730             0.0000000000
      2222       733  TIP3      H1              3.3528205888       -0.1322679730       11.2898575611  SOLV      730             0.0000000000
      2223       733  TIP3      H2              3.9093805888        1.0935020270       11.9823975611  SOLV      730             0.0000000000
      2224       734  TIP3      OH2             3.7670905888       -6.1764579730       13.5693275611  SOLV      731             0.0000000000
      2225       734  TIP3      H1              3.9513805888       -6.2582879730       12.6336175611  SOLV      731             0.0000000000
      2226       734  TIP3      H2              4.6163805888       -6.3007579730       13.9929675611  SOLV      731             0.0000000000
      2227       735  TIP3      OH2             4.5858205888      -12.5937979730       12.6014975611  SOLV      732             0.0000000000
      2228       735  TIP3      H1              5.0309805888      -13.3855479730       12.9034675611  SOLV      732             0.0000000000
      2229       735  TIP3      H2              5.0521205888      -11.8772779730       13.0320575611  SOLV      732             0.0000000000
      2230       736  TIP3      OH2             2.8898505888       -9.5944979730       13.6705175611  SOLV      733             0.0000000000
      2231       736  TIP3      H1              3.3818305888       -9.8154479730       12.8797175611  SOLV      733             0.0000000000
      2232       736  TIP3      H2              3.2519405888       -8.7541579730       13.9514675611  SOLV      733             0.0000000000
      2233       737  TIP3      OH2             3.2035005888      -13.3365879730        7.7247575611  SOLV      734             0.0000000000
      2234       737  TIP3      H1              2.2783405888      -13.1279279730        7.5953075611  SOLV      734             0.0000000000
      2235       737  TIP3      H2              3.6574905888      -12.8525079730        7.0349875611  SOLV      734             0.0000000000
      2236       738  TIP3      OH2             8.1821905888        2.4076220270       15.5492375611  SOLV      735             0.0000000000
      2237       738  TIP3      H1              7.3174105888        2.4794720270       15.9532475611  SOLV      735             0.0000000000
      2238       738  TIP3      H2              8.1270905888        2.9543520270       14.7654875611  SOLV      735             0.0000000000
      2239       739  TIP3      OH2            12.8927505888        2.2955120270       14.7248375611  SOLV      736             0.0000000000
      2240       739  TIP3      H1             12.4361505888        2.8244820270       14.0706775611  SOLV      736             0.0000000000
      2241       739  TIP3      H2             13.0555505888        2.8986520270       15.4500675611  SOLV      736             0.0000000000
      2242       740  TIP3      OH2            15.2203805888        1.1734720270       15.6698675611  SOLV      737             0.0000000000
      2243       740  TIP3      H1             14.3157505888        1.3384920270       15.4040775611  SOLV      737             0.0000000000
      2244       740  TIP3      H2             15.6492405888        2.0266920270       15.6042075611  SOLV      737             0.0000000000
      2245       741  TIP3      OH2             5.1297405888        1.4304820270       13.4296975611  SOLV      738             0.0000000000
      2246       741  TIP3      H1              5.1113405888        1.0049920270       14.2869275611  SOLV      738             0.0000000000
      2247       741  TIP3      H2              5.9345305888        1.1119820270       13.0209175611  SOLV      738             0.0000000000
      2248       742  TIP3      OH2             7.2710505888        0.1403520270       12.0846875611  SOLV      739             0.0000000000
      2249       742  TIP3      H1              7.0521205888       -0.7759079730       12.2542875611  SOLV      739             0.0000000000
      2250       742  TIP3      H2              8.0952705888        0.2803920270       12.5508275611  SOLV      739             0.0000000000
      2251       743  TIP3      OH2             9.8083005888        0.6102820270       12.9334875611  SOLV      740             0.0000000000
      2252       743  TIP3      H1             10.0208705888       -0.2778179730       12.6465775611  SOLV      740             0.0000000000
      2253       743  TIP3      H2              9.8728105888        0.5760520270       13.8878875611  SOLV      740             0.0000000000
      2254       744  TIP3      OH2            13.3166705888      -13.7256579730       12.0778175611  SOLV      741             0.0000000000
      2255       744  TIP3      H1             12.6423505888      -14.3550979730       12.3333975611  SOLV      741             0.0000000000
      2256       744  TIP3      H2             13.8805905888      -14.2097679730       11.4746075611  SOLV      741             0.0000000000
      2257       745  TIP3      OH2             5.6434205888      -15.0916279730        9.8998075611  SOLV      742             0.0000000000
      2258       745  TIP3      H1              4.8664005888      -15.3261379730        9.3923975611  SOLV      742             0.0000000000
      2259       745  TIP3      H2              6.1737805888      -15.8884179730        9.9086075611  SOLV      742             0.0000000000
      2260       746  TIP3      OH2             4.4797605888      -15.2938179730        5.7034175611  SOLV      743             0.0000000000
      2261       746  TIP3      H1              4.9188305888      -14.6827679730        5.1117675611  SOLV      743             0.0000000000
      2262       746  TIP3      H2              3.8460005888      -14.7554079730        6.1774175611  SOLV      743             0.0000000000
      2263       747  TIP3      OH2            10.2226805888      -15.1649179730        9.7131175611  SOLV      744             0.0000000000
      2264       747  TIP3      H1             11.0970205888      -14.7764879730        9.6835475611  SOLV      744             0.0000000000
      2265       747  TIP3      H2             10.0867605888      -15.3801379730       10.6358375611  SOLV      744             0.0000000000
      2266       748  TIP3      OH2            15.7795205888      -15.1349379730       11.3622875611  SOLV      745             0.0000000000
      2267       748  TIP3      H1             15.8556805888      -15.0397779730       10.4128875611  SOLV      745             0.0000000000
      2268       748  TIP3      H2             15.5044405888      -16.0426479730       11.4911975611  SOLV      745             0.0000000000
      2269       749  TIP3      OH2            11.3666805888      -13.0845179730        6.6028775611  SOLV      746             0.0000000000
      2270       749  TIP3      H1             11.5448105888      -13.7311979730        7.2857375611  SOLV      746             0.0000000000
      2271       749  TIP3      H2             11.3133005888      -12.2507479730        7.0699875611  SOLV      746             0.0000000000
      2272       750  TIP3      OH2            13.2450605888        1.8638920270        4.9985475611  SOLV      747             0.0000000000
      2273       750  TIP3      H1             14.1110805888        2.2306320270        4.8203675611  SOLV      747             0.0000000000
      2274       750  TIP3      H2             12.9983405888        1.4246920270        4.1846275611  SOLV      747             0.0000000000
      2275       751  TIP3      OH2            -4.1343194112       12.9206020270        9.8585575611  SOLV      748             0.0000000000
      2276       751  TIP3      H1             -4.0452094112       13.8644220270        9.7262675611  SOLV      748             0.0000000000
      2277       751  TIP3      H2             -4.7725594112       12.6452420270        9.2004975611  SOLV      748             0.0000000000
      2278       752  TIP3      OH2           -12.8326894112       11.7898820270       14.8703675611  SOLV      749             0.0000000000
      2279       752  TIP3      H1            -12.7914794112       11.1642120270       15.5936075611  SOLV      749             0.0000000000
      2280       752  TIP3      H2            -12.1299194112       12.4137420270       15.0524075611  SOLV      749             0.0000000000
      2281       753  TIP3      OH2           -14.5887194112       12.0619920270       10.9239575611  SOLV      750             0.0000000000
      2282       753  TIP3      H1            -14.3753694112       11.2921520270       11.4512575611  SOLV      750             0.0000000000
      2283       753  TIP3      H2            -13.8509594112       12.1516620270       10.3207175611  SOLV      750             0.0000000000
      2284       754  TIP3      OH2            -6.8117494112       14.6078120270       13.6834775611  SOLV      751             0.0000000000
      2285       754  TIP3      H1             -6.5079594112       13.9219520270       13.0888875611  SOLV      751             0.0000000000
      2286       754  TIP3      H2             -6.0903494112       14.7266820270       14.3012775611  SOLV      751             0.0000000000
      2287       755  TIP3      OH2             1.8512305888        6.2093420270       14.5440975611  SOLV      752             0.0000000000
      2288       755  TIP3      H1              1.9004505888        6.8194620270       15.2800075611  SOLV      752             0.0000000000
      2289       755  TIP3      H2              2.2767405888        6.6704320270       13.8212075611  SOLV      752             0.0000000000
      2290       756  TIP3      OH2           -10.5162194112        7.1036920270       11.2834375611  SOLV      753             0.0000000000
      2291       756  TIP3      H1            -10.4731094112        7.9635420270       10.8650675611  SOLV      753             0.0000000000
      2292       756  TIP3      H2            -10.9738094112        6.5511620270       10.6497575611  SOLV      753             0.0000000000
      2293       757  TIP3      OH2            -2.7939494112        7.2342520270        9.6842675611  SOLV      754             0.0000000000
      2294       757  TIP3      H1             -2.1475194112        6.9055720270       10.3090275611  SOLV      754             0.0000000000
      2295       757  TIP3      H2             -2.2840094112        7.7521520270        9.0614075611  SOLV      754             0.0000000000
      2296       758  TIP3      OH2           -13.8960694112        9.5002720270       12.0455775611  SOLV      755             0.0000000000
      2297       758  TIP3      H1            -13.2424094112        8.9504420270       12.4775875611  SOLV      755             0.0000000000
      2298       758  TIP3      H2            -13.8721394112        9.2261720270       11.1287775611  SOLV      755             0.0000000000
      2299       759  TIP3      OH2            -8.7396194112       11.0504020270       11.2607275611  SOLV      756             0.0000000000
      2300       759  TIP3      H1             -8.1235194112       10.5239420270       11.7701275611  SOLV      756             0.0000000000
      2301       759  TIP3      H2             -9.3257394112       10.4102720270       10.8570875611  SOLV      756             0.0000000000
      2302       760  TIP3      OH2           -11.7060294112        6.0215320270       15.3575175611  SOLV      757             0.0000000000
      2303       760  TIP3      H1            -11.9248594112        6.5515920270       14.5911175611  SOLV      757             0.0000000000
      2304       760  TIP3      H2            -12.3739394112        6.2480820270       16.0046575611  SOLV      757             0.0000000000
      2305       761  TIP3      OH2            -4.3370494112       15.5216420270        8.9014275611  SOLV      758             0.0000000000
      2306       761  TIP3      H1             -4.6325394112       15.1988720270        8.0501175611  SOLV      758             0.0000000000
      2307       761  TIP3      H2             -4.6612694112       16.4213120270        8.9426875611  SOLV      758             0.0000000000
      2308       762  TIP3      OH2            -9.1368894112       13.6971020270       15.6448875611  SOLV      759             0.0000000000
      2309       762  TIP3      H1             -9.8769794112       14.2952520270       15.7484075611  SOLV      759             0.0000000000
      2310       762  TIP3      H2             -8.4229394112       14.2510620270       15.3292475611  SOLV      759             0.0000000000
      2311       763  TIP3      OH2            -1.0301094112        6.5251820270       11.6648575611  SOLV      760             0.0000000000
      2312       763  TIP3      H1             -1.2453094112        5.7595220270       12.1974575611  SOLV      760             0.0000000000
      2313       763  TIP3      H2             -0.3743694112        6.9976420270       12.1777075611  SOLV      760             0.0000000000
      2314       764  TIP3      OH2           -12.1122994112        7.9137120270       13.3097375611  SOLV      761             0.0000000000
      2315       764  TIP3      H1            -11.4986694112        8.5464720270       13.6829775611  SOLV      761             0.0000000000
      2316       764  TIP3      H2            -11.6002294112        7.4412120270       12.6534275611  SOLV      761             0.0000000000
      2317       765  TIP3      OH2           -14.6083694112       15.3321920270        7.2139675611  SOLV      762             0.0000000000
      2318       765  TIP3      H1            -14.8802794112       15.5612920270        6.3252575611  SOLV      762             0.0000000000
      2319       765  TIP3      H2            -14.5627994112       16.1700720270        7.6744975611  SOLV      762             0.0000000000
      2320       766  TIP3      OH2            -0.6826994112        5.2403120270       15.3442075611  SOLV      763             0.0000000000
      2321       766  TIP3      H1             -1.4187794112        5.8510220270       15.3063375611  SOLV      763             0.0000000000
      2322       766  TIP3      H2              0.0007005888        5.6552120270       14.8178475611  SOLV      763             0.0000000000
      2323       767  TIP3      OH2            -5.4130694112       12.1646020270        7.3105875611  SOLV      764             0.0000000000
      2324       767  TIP3      H1             -6.1245194112       12.6995720270        6.9586375611  SOLV      764             0.0000000000
      2325       767  TIP3      H2             -4.7221094112       12.2198120270        6.6504775611  SOLV      764             0.0000000000
      2326       768  TIP3      OH2            -5.3591494112       10.6220320270        4.3490875611  SOLV      765             0.0000000000
      2327       768  TIP3      H1             -4.6581594112       10.6447220270        5.0004875611  SOLV      765             0.0000000000
      2328       768  TIP3      H2             -5.0568594112        9.9940020270        3.6930175611  SOLV      765             0.0000000000
      2329       769  TIP3      OH2             1.9563205888       11.5424520270       15.6040275611  SOLV      766             0.0000000000
      2330       769  TIP3      H1              1.3037305888       12.2370120270       15.6931175611  SOLV      766             0.0000000000
      2331       769  TIP3      H2              2.4213505888       11.7525420270       14.7941875611  SOLV      766             0.0000000000
      2332       770  TIP3      OH2            -2.0072994112       12.3739320270        8.2621775611  SOLV      767             0.0000000000
      2333       770  TIP3      H1             -2.7391994112       12.6023020270        8.8352375611  SOLV      767             0.0000000000
      2334       770  TIP3      H2             -1.5600794112       11.6602020270        8.7169275611  SOLV      767             0.0000000000
      2335       771  TIP3      OH2           -10.3619294112       13.0045520270       10.1446775611  SOLV      768             0.0000000000
      2336       771  TIP3      H1            -10.6924094112       12.6338920270        9.3263775611  SOLV      768             0.0000000000
      2337       771  TIP3      H2             -9.7735194112       12.3339520270       10.4915075611  SOLV      768             0.0000000000
      2338       772  TIP3      OH2            -9.9953794112       11.7731120270       13.7781775611  SOLV      769             0.0000000000
      2339       772  TIP3      H1             -9.4301294112       11.8945320270       13.0152975611  SOLV      769             0.0000000000
      2340       772  TIP3      H2             -9.6764894112       12.4106120270       14.4170275611  SOLV      769             0.0000000000
      2341       773  TIP3      OH2            -3.1363494112       11.5362220270        5.9472975611  SOLV      770             0.0000000000
      2342       773  TIP3      H1             -2.5567994112       11.6862520270        6.6941875611  SOLV      770             0.0000000000
      2343       773  TIP3      H2             -2.7223494112       12.0069620270        5.2239375611  SOLV      770             0.0000000000
      2344       774  TIP3      OH2             0.5624905888        3.2862620270        5.7602675611  SOLV      771             0.0000000000
      2345       774  TIP3      H1             -0.3374394112        3.4251620270        6.0553275611  SOLV      771             0.0000000000
      2346       774  TIP3      H2              0.8143305888        4.1177220270        5.3584375611  SOLV      771             0.0000000000
      2347       775  TIP3      OH2           -11.3716594112       12.0739820270        7.7339575611  SOLV      772             0.0000000000
      2348       775  TIP3      H1            -11.6635294112       12.8421520270        7.2430875611  SOLV      772             0.0000000000
      2349       775  TIP3      H2            -12.0461394112       11.4146020270        7.5710975611  SOLV      772             0.0000000000
      2350       776  TIP3      OH2           -10.4107994112        4.2304920270       13.5876375611  SOLV      773             0.0000000000
      2351       776  TIP3      H1            -11.2724294112        4.1433120270       13.1799275611  SOLV      773             0.0000000000
      2352       776  TIP3      H2            -10.4332294112        5.0865020270       14.0153975611  SOLV      773             0.0000000000
      2353       777  TIP3      OH2            -1.6590394112       12.5690520270        3.5770875611  SOLV      774             0.0000000000
      2354       777  TIP3      H1             -1.6169594112       12.3464420270        2.6470875611  SOLV      774             0.0000000000
      2355       777  TIP3      H2             -0.8098294112       12.9677620270        3.7670775611  SOLV      774             0.0000000000
      2356       778  TIP3      OH2            -6.0862894112        6.4448720270        4.2474175611  SOLV      775             0.0000000000
      2357       778  TIP3      H1             -6.3398094112        6.4640320270        5.1702275611  SOLV      775             0.0000000000
      2358       778  TIP3      H2             -6.3430794112        5.5734120270        3.9460375611  SOLV      775             0.0000000000
      2359       779  TIP3      OH2           -10.3197894112        9.1959420270       14.6826575611  SOLV      776             0.0000000000
      2360       779  TIP3      H1            -10.9615794112        9.1556720270       15.3916675611  SOLV      776             0.0000000000
      2361       779  TIP3      H2            -10.2825894112       10.1224120270       14.4449575611  SOLV      776             0.0000000000
      2362       780  TIP3      OH2           -10.3228794112        9.4169520270        9.5946575611  SOLV      777             0.0000000000
      2363       780  TIP3      H1            -11.2155894112        9.0765620270        9.5360375611  SOLV      777             0.0000000000
      2364       780  TIP3      H2             -9.8722194112        9.0400420270        8.8389775611  SOLV      777             0.0000000000
      2365       781  TIP3      OH2            -4.7873294112        9.8329820270        8.4117375611  SOLV      778             0.0000000000
      2366       781  TIP3      H1             -5.1962994112       10.6478420270        8.1202175611  SOLV      778             0.0000000000
      2367       781  TIP3      H2             -4.0667094112        9.6929920270        7.7974475611  SOLV      778             0.0000000000
      2368       782  TIP3      OH2            -9.2039994112        6.8905220270        3.3484575611  SOLV      779             0.0000000000
      2369       782  TIP3      H1             -9.6349294112        6.4455320270        4.0781975611  SOLV      779             0.0000000000
      2370       782  TIP3      H2             -9.9221294112        7.2621520270        2.8362075611  SOLV      779             0.0000000000
      2371       783  TIP3      OH2           -15.9616594112        6.6324720270       10.4003275611  SOLV      780             0.0000000000
      2372       783  TIP3      H1            -15.3308894112        6.6036820270       11.1197175611  SOLV      780             0.0000000000
      2373       783  TIP3      H2            -15.5122294112        6.2073420270        9.6699175611  SOLV      780             0.0000000000
      2374       784  TIP3      OH2           -14.6874494112        7.3786720270        5.8243675611  SOLV      781             0.0000000000
      2375       784  TIP3      H1            -14.2132794112        7.9696620270        5.2394575611  SOLV      781             0.0000000000
      2376       784  TIP3      H2            -15.4048094112        7.9089620270        6.1713775611  SOLV      781             0.0000000000
      2377       785  TIP3      OH2            -4.5186394112       10.9171520270       15.8969475611  SOLV      782             0.0000000000
      2378       785  TIP3      H1             -4.1951594112       10.2861220270       15.2539975611  SOLV      782             0.0000000000
      2379       785  TIP3      H2             -4.9587094112       10.3823720270       16.5576875611  SOLV      782             0.0000000000
      2380       786  TIP3      OH2            -7.7413494112        6.8447020270       10.6810675611  SOLV      783             0.0000000000
      2381       786  TIP3      H1             -8.6522394112        6.9013820270       10.9696675611  SOLV      783             0.0000000000
      2382       786  TIP3      H2             -7.2360594112        6.7842520270       11.4917875611  SOLV      783             0.0000000000
      2383       787  TIP3      OH2           -12.9130094112        8.4733320270        9.5078275611  SOLV      784             0.0000000000
      2384       787  TIP3      H1            -13.8022094112        8.5728820270        9.1677875611  SOLV      784             0.0000000000
      2385       787  TIP3      H2            -12.6165194112        7.6316320270        9.1616175611  SOLV      784             0.0000000000
      2386       788  TIP3      OH2            -9.2598294112        8.4735920270        7.1642875611  SOLV      785             0.0000000000
      2387       788  TIP3      H1             -8.3282794112        8.6025920270        7.3425975611  SOLV      785             0.0000000000
      2388       788  TIP3      H2             -9.4747994112        9.1430220270        6.5147575611  SOLV      785             0.0000000000
      2389       789  TIP3      OH2            -3.3361594112        6.0793320270       13.9452475611  SOLV      786             0.0000000000
      2390       789  TIP3      H1             -4.0129994112        6.2106420270       14.6092175611  SOLV      786             0.0000000000
      2391       789  TIP3      H2             -3.8216694112        5.9242820270       13.1350175611  SOLV      786             0.0000000000
      2392       790  TIP3      OH2           -10.5858094112        9.6678120270        4.7308975611  SOLV      787             0.0000000000
      2393       790  TIP3      H1            -11.1282994112        9.2881920270        4.0396575611  SOLV      787             0.0000000000
      2394       790  TIP3      H2             -9.7523194112        9.8622820270        4.3023075611  SOLV      787             0.0000000000
      2395       791  TIP3      OH2           -11.4194094112        5.7686120270        8.9865075611  SOLV      788             0.0000000000
      2396       791  TIP3      H1            -11.7364594112        4.8661420270        8.9510475611  SOLV      788             0.0000000000
      2397       791  TIP3      H2            -10.6379994112        5.7703520270        8.4336675611  SOLV      788             0.0000000000
      2398       792  TIP3      OH2            -7.7947894112        8.0206120270       14.9820675611  SOLV      789             0.0000000000
      2399       792  TIP3      H1             -8.6302594112        8.4745620270       15.0923075611  SOLV      789             0.0000000000
      2400       792  TIP3      H2             -7.2707294112        8.2964620270       15.7340575611  SOLV      789             0.0000000000
      2401       793  TIP3      OH2            -7.2505294112       14.2333820270        6.6667075611  SOLV      790             0.0000000000
      2402       793  TIP3      H1             -7.9954294112       13.7259120270        6.3444975611  SOLV      790             0.0000000000
      2403       793  TIP3      H2             -7.3848094112       14.2821820270        7.6131875611  SOLV      790             0.0000000000
      2404       794  TIP3      OH2            -0.1006394112       13.3662020270       15.4534675611  SOLV      791             0.0000000000
      2405       794  TIP3      H1              0.5412405888       13.8228320270       14.9096875611  SOLV      791             0.0000000000
      2406       794  TIP3      H2             -0.9309494112       13.4794420270       14.9908775611  SOLV      791             0.0000000000
      2407       795  TIP3      OH2            -3.3528494112        7.0473720270        4.8659675611  SOLV      792             0.0000000000
      2408       795  TIP3      H1             -4.2914294112        7.1589320270        4.7148475611  SOLV      792             0.0000000000
      2409       795  TIP3      H2             -3.0556394112        7.9040620270        5.1725375611  SOLV      792             0.0000000000
      2410       796  TIP3      OH2            -2.6344994112        8.9146420270        6.5267075611  SOLV      793             0.0000000000
      2411       796  TIP3      H1             -1.7425994112        8.7771420270        6.8458275611  SOLV      793             0.0000000000
      2412       796  TIP3      H2             -2.5781394112        9.7052520270        5.9900575611  SOLV      793             0.0000000000
      2413       797  TIP3      OH2           -12.1256994112       13.5283820270       12.4364975611  SOLV      794             0.0000000000
      2414       797  TIP3      H1            -11.3809794112       13.5259520270       11.8351475611  SOLV      794             0.0000000000
      2415       797  TIP3      H2            -12.0480394112       12.7047620270       12.9180075611  SOLV      794             0.0000000000
      2416       798  TIP3      OH2            -5.1251194112       15.6918120270        5.6921675611  SOLV      795             0.0000000000
      2417       798  TIP3      H1             -5.4202794112       16.5186020270        6.0736475611  SOLV      795             0.0000000000
      2418       798  TIP3      H2             -5.8281194112       15.0725020270        5.8883075611  SOLV      795             0.0000000000
      2419       799  TIP3      OH2             2.2503705888        9.1240520270        6.2213775611  SOLV      796             0.0000000000
      2420       799  TIP3      H1              1.6960005888        8.7278520270        5.5491275611  SOLV      796             0.0000000000
      2421       799  TIP3      H2              2.3507305888       10.0345720270        5.9437075611  SOLV      796             0.0000000000
      2422       800  TIP3      OH2            -2.2940694112       12.7180420270       13.7077775611  SOLV      797             0.0000000000
      2423       800  TIP3      H1             -3.2223794112       12.4862320270       13.6807075611  SOLV      797             0.0000000000
      2424       800  TIP3      H2             -1.8429594112       11.9410220270       13.3776575611  SOLV      797             0.0000000000
      2425       801  TIP3      OH2            -8.3235294112       14.7091920270        9.4170775611  SOLV      798             0.0000000000
      2426       801  TIP3      H1             -8.5645294112       15.6346320270        9.4586075611  SOLV      798             0.0000000000
      2427       801  TIP3      H2             -9.0641694112       14.2503220270        9.8134675611  SOLV      798             0.0000000000
      2428       802  TIP3      OH2            -4.2647894112       14.9576220270       15.4327475611  SOLV      799             0.0000000000
      2429       802  TIP3      H1             -4.6906594112       14.7297920270       16.2591475611  SOLV      799             0.0000000000
      2430       802  TIP3      H2             -3.6842094112       14.2188020270       15.2502775611  SOLV      799             0.0000000000
      2431       803  TIP3      OH2            -2.0618994112       15.8866720270        4.5066475611  SOLV      800             0.0000000000
      2432       803  TIP3      H1             -1.7085894112       15.5066520270        5.3109975611  SOLV      800             0.0000000000
      2433       803  TIP3      H2             -3.0105494112       15.7931520270        4.5935775611  SOLV      800             0.0000000000
      2434       804  TIP3      OH2            -1.1959694112       14.5588720270        6.7334375611  SOLV      801             0.0000000000
      2435       804  TIP3      H1             -1.4732094112       13.8308020270        7.2895475611  SOLV      801             0.0000000000
      2436       804  TIP3      H2             -0.2686694112       14.6780720270        6.9386975611  SOLV      801             0.0000000000
      2437       805  TIP3      OH2           -12.5809494112       13.8209920270        5.9204475611  SOLV      802             0.0000000000
      2438       805  TIP3      H1            -13.2670194112       14.1732420270        6.4874175611  SOLV      802             0.0000000000
      2439       805  TIP3      H2            -12.0581594112       14.5839520270        5.6738775611  SOLV      802             0.0000000000
      2440       806  TIP3      OH2            -3.9649494112        6.1355420270        7.2965775611  SOLV      803             0.0000000000
      2441       806  TIP3      H1             -3.7451194112        6.6070820270        6.4931175611  SOLV      803             0.0000000000
      2442       806  TIP3      H2             -3.4065494112        6.5298020270        7.9666375611  SOLV      803             0.0000000000
      2443       807  TIP3      OH2            -6.7649594112        7.8634220270        8.1314175611  SOLV      804             0.0000000000
      2444       807  TIP3      H1             -5.9526994112        8.3677420270        8.1775875611  SOLV      804             0.0000000000
      2445       807  TIP3      H2             -7.0096594112        7.7183920270        9.0453775611  SOLV      804             0.0000000000
      2446       808  TIP3      OH2            -5.8812894112        4.9447220270        9.0695275611  SOLV      805             0.0000000000
      2447       808  TIP3      H1             -6.2279394112        5.5617820270        9.7139575611  SOLV      805             0.0000000000
      2448       808  TIP3      H2             -5.2225994112        5.4452920270        8.5880775611  SOLV      805             0.0000000000
      2449       809  TIP3      OH2           -10.2235894112        6.0076620270        5.7567775611  SOLV      806             0.0000000000
      2450       809  TIP3      H1            -10.3071094112        6.8959720270        6.1034175611  SOLV      806             0.0000000000
      2451       809  TIP3      H2             -9.3335594112        5.7423320270        5.9884575611  SOLV      806             0.0000000000
      2452       810  TIP3      OH2            -1.4226394112       10.5068220270       12.2467775611  SOLV      807             0.0000000000
      2453       810  TIP3      H1             -2.2201994112       10.0918420270       11.9182775611  SOLV      807             0.0000000000
      2454       810  TIP3      H2             -0.9775294112        9.8161920270       12.7378275611  SOLV      807             0.0000000000
      2455       811  TIP3      OH2           -13.6491394112        9.0991820270        3.9331675611  SOLV      808             0.0000000000
      2456       811  TIP3      H1            -13.6938794112       10.0384920270        4.1118675611  SOLV      808             0.0000000000
      2457       811  TIP3      H2            -14.5368194112        8.8636720270        3.6633775611  SOLV      808             0.0000000000
      2458       812  TIP3      OH2           -12.8409394112        3.8808420270       12.6062675611  SOLV      809             0.0000000000
      2459       812  TIP3      H1            -13.0699594112        3.9400920270       11.6787675611  SOLV      809             0.0000000000
      2460       812  TIP3      H2            -13.2835994112        3.0893920270       12.9126775611  SOLV      809             0.0000000000
      2461       813  TIP3      OH2           -10.3739194112       14.5879020270        3.1835375611  SOLV      810             0.0000000000
      2462       813  TIP3      H1            -10.3095094112       13.7938620270        3.7141775611  SOLV      810             0.0000000000
      2463       813  TIP3      H2             -9.7209994112       14.4691820270        2.4937375611  SOLV      810             0.0000000000
      2464       814  TIP3      OH2            -5.0215794112       15.6350720270        2.9193375611  SOLV      811             0.0000000000
      2465       814  TIP3      H1             -5.2901694112       15.8152820270        3.8202275611  SOLV      811             0.0000000000
      2466       814  TIP3      H2             -5.2280194112       14.7096920270        2.7879175611  SOLV      811             0.0000000000
      2467       815  TIP3      OH2            -9.2245394112       12.5605220270        5.4893375611  SOLV      812             0.0000000000
      2468       815  TIP3      H1             -9.6843394112       12.0763520270        6.1751875611  SOLV      812             0.0000000000
      2469       815  TIP3      H2             -8.9696694112       11.8920620270        4.8533875611  SOLV      812             0.0000000000
      2470       816  TIP3      OH2            -8.1534994112       10.8037020270        3.7516575611  SOLV      813             0.0000000000
      2471       816  TIP3      H1             -8.3339994112       10.6488220270        2.8244875611  SOLV      813             0.0000000000
      2472       816  TIP3      H2             -7.2034494112       10.9115720270        3.7964475611  SOLV      813             0.0000000000
      2473       817  TIP3      OH2             1.2363305888       13.1581220270        3.1974675611  SOLV      814             0.0000000000
      2474       817  TIP3      H1              0.9628105888       12.7336720270        2.3842975611  SOLV      814             0.0000000000
      2475       817  TIP3      H2              1.2757405888       14.0895720270        2.9805075611  SOLV      814             0.0000000000
      2476       818  TIP3      OH2             1.6946105888       14.0269320270        7.1725075611  SOLV      815             0.0000000000
      2477       818  TIP3      H1              2.5447505888       14.4480220270        7.2996675611  SOLV      815             0.0000000000
      2478       818  TIP3      H2              1.7001205888       13.2869420270        7.7796475611  SOLV      815             0.0000000000
      2479       819  TIP3      OH2             2.0891705888       12.0806720270        8.9960775611  SOLV      816             0.0000000000
      2480       819  TIP3      H1              1.3626305888       11.6009320270        9.3938375611  SOLV      816             0.0000000000
      2481       819  TIP3      H2              2.6705005888       12.2861420270        9.7282375611  SOLV      816             0.0000000000
      2482       820  TIP3      OH2             1.8482905888       14.8654220270       13.9438375611  SOLV      817             0.0000000000
      2483       820  TIP3      H1              2.6817105888       14.4874220270       13.6631975611  SOLV      817             0.0000000000
      2484       820  TIP3      H2              1.9603205888       15.8085420270       13.8247475611  SOLV      817             0.0000000000
      2485       821  TIP3      OH2             2.3574805888       11.9815220270        5.3872075611  SOLV      818             0.0000000000
      2486       821  TIP3      H1              1.8355905888       12.3379320270        4.6682975611  SOLV      818             0.0000000000
      2487       821  TIP3      H2              2.3244005888       12.6563020270        6.0652975611  SOLV      818             0.0000000000
      2488       822  TIP3      OH2            -0.1241494112       10.6013220270        9.5589475611  SOLV      819             0.0000000000
      2489       822  TIP3      H1             -0.2742694112        9.6561820270        9.5387275611  SOLV      819             0.0000000000
      2490       822  TIP3      H2             -0.4776994112       10.8824620270       10.4028575611  SOLV      819             0.0000000000
      2491       823  TIP3      OH2           -15.0889094112       12.6795420270       13.5693275611  SOLV      820             0.0000000000
      2492       823  TIP3      H1            -14.9046194112       12.5977120270       12.6336175611  SOLV      820             0.0000000000
      2493       823  TIP3      H2            -14.2396194112       12.5552420270       13.9929675611  SOLV      820             0.0000000000
      2494       824  TIP3      OH2            -0.4136694112        8.1839020270        8.0214575611  SOLV      821             0.0000000000
      2495       824  TIP3      H1             -0.1339594112        7.2769420270        8.1456275611  SOLV      821             0.0000000000
      2496       824  TIP3      H2              0.3455005888        8.6180520270        7.6323775611  SOLV      821             0.0000000000
      2497       825  TIP3      OH2             0.1981605888        8.7656420270       13.4573475611  SOLV      822             0.0000000000
      2498       825  TIP3      H1              1.1309605888        8.9776320270       13.4229475611  SOLV      822             0.0000000000
      2499       825  TIP3      H2             -0.0370894112        8.8668520270       14.3796475611  SOLV      822             0.0000000000
      2500       826  TIP3      OH2             0.1998105888        5.4468320270        8.0696575611  SOLV      823             0.0000000000
      2501       826  TIP3      H1              0.3823105888        4.9979820270        8.8951575611  SOLV      823             0.0000000000
      2502       826  TIP3      H2             -0.3998994112        4.8622720270        7.6061175611  SOLV      823             0.0000000000
      2503       827  TIP3      OH2           -14.2701794112        6.2622020270       12.6014975611  SOLV      824             0.0000000000
      2504       827  TIP3      H1            -13.8250194112        5.4704520270       12.9034675611  SOLV      824             0.0000000000
      2505       827  TIP3      H2            -13.8038794112        6.9787220270       13.0320575611  SOLV      824             0.0000000000
      2506       828  TIP3      OH2           -15.9661494112        9.2615020270       13.6705175611  SOLV      825             0.0000000000
      2507       828  TIP3      H1            -15.4741694112        9.0405520270       12.8797175611  SOLV      825             0.0000000000
      2508       828  TIP3      H2            -15.6040594112       10.1018420270       13.9514675611  SOLV      825             0.0000000000
      2509       829  TIP3      OH2           -15.6524994112        5.5194120270        7.7247575611  SOLV      826             0.0000000000
      2510       829  TIP3      H1            -16.5776594112        5.7280720270        7.5953075611  SOLV      826             0.0000000000
      2511       829  TIP3      H2            -15.1985094112        6.0034920270        7.0349875611  SOLV      826             0.0000000000
      2512       830  TIP3      OH2            -0.3966094112        3.2377420270       12.1905275611  SOLV      827             0.0000000000
      2513       830  TIP3      H1              0.2071505888        3.7852820270       11.6886275611  SOLV      827             0.0000000000
      2514       830  TIP3      H2             -1.2664094112        3.5567820270       11.9499375611  SOLV      827             0.0000000000
      2515       831  TIP3      OH2             1.3304305888        4.3766120270       10.5236175611  SOLV      828             0.0000000000
      2516       831  TIP3      H1              1.9421805888        3.8621820270        9.9969775611  SOLV      828             0.0000000000
      2517       831  TIP3      H2              1.7127705888        5.2538220270       10.5470575611  SOLV      828             0.0000000000
      2518       832  TIP3      OH2           -13.2125794112        3.7643720270        9.8998075611  SOLV      829             0.0000000000
      2519       832  TIP3      H1            -13.9895994112        3.5298620270        9.3923975611  SOLV      829             0.0000000000
      2520       832  TIP3      H2            -12.6822194112        2.9675820270        9.9086075611  SOLV      829             0.0000000000
      2521       833  TIP3      OH2           -14.3762394112        3.5621820270        5.7034175611  SOLV      830             0.0000000000
      2522       833  TIP3      H1            -13.9371694112        4.1732320270        5.1117675611  SOLV      830             0.0000000000
      2523       833  TIP3      H2            -15.0099994112        4.1005920270        6.1774175611  SOLV      830             0.0000000000
      2524       834  TIP3      OH2            -8.6333194112        3.6910820270        9.7131175611  SOLV      831             0.0000000000
      2525       834  TIP3      H1             -7.7589794112        4.0795120270        9.6835475611  SOLV      831             0.0000000000
      2526       834  TIP3      H2             -8.7692394112        3.4758620270       10.6358375611  SOLV      831             0.0000000000
      2527       835  TIP3      OH2            -3.0764794112        3.7210620270       11.3622875611  SOLV      832             0.0000000000
      2528       835  TIP3      H1             -3.0003194112        3.8162220270       10.4128875611  SOLV      832             0.0000000000
      2529       835  TIP3      H2             -3.3515594112        2.8133520270       11.4911975611  SOLV      832             0.0000000000
      2530       836  TIP3      OH2            -1.7232194112        3.7468420270        7.0547875611  SOLV      833             0.0000000000
      2531       836  TIP3      H1             -2.4261094112        4.3617620270        6.8449275611  SOLV      833             0.0000000000
      2532       836  TIP3      H2             -2.1680794112        2.9095120270        7.1858775611  SOLV      833             0.0000000000
      2533       837  TIP3      OH2           -12.5153294112        5.4783320270        4.1458275611  SOLV      834             0.0000000000
      2534       837  TIP3      H1            -12.0239894112        4.8485720270        3.6183775611  SOLV      834             0.0000000000
      2535       837  TIP3      H2            -11.8916994112        5.7742720270        4.8089475611  SOLV      834             0.0000000000
      2536       838  TIP3      OH2            -7.4893194112        5.7714820270        6.6028775611  SOLV      835             0.0000000000
      2537       838  TIP3      H1             -7.3111894112        5.1248020270        7.2857375611  SOLV      835             0.0000000000
      2538       838  TIP3      H2             -7.5426994112        6.6052520270        7.0699875611  SOLV      835             0.0000000000
      2539       839  TIP3      OH2            14.7216805888       12.9206020270        9.8585575611  SOLV      836             0.0000000000
      2540       839  TIP3      H1             14.8107905888       13.8644220270        9.7262675611  SOLV      836             0.0000000000
      2541       839  TIP3      H2             14.0834405888       12.6452420270        9.2004975611  SOLV      836             0.0000000000
      2542       840  TIP3      OH2            13.6548105888       12.1756720270       13.2773775611  SOLV      837             0.0000000000
      2543       840  TIP3      H1             13.6165605888       11.5293020270       13.9823375611  SOLV      837             0.0000000000
      2544       840  TIP3      H2             13.3324605888       11.7091120270       12.5062475611  SOLV      837             0.0000000000
      2545       841  TIP3      OH2             6.0233105888       11.7898820270       14.8703675611  SOLV      838             0.0000000000
      2546       841  TIP3      H1              6.0645205888       11.1642120270       15.5936075611  SOLV      838             0.0000000000
      2547       841  TIP3      H2              6.7260805888       12.4137420270       15.0524075611  SOLV      838             0.0000000000
      2548       842  TIP3      OH2             3.5566705888        9.9000320270        8.7981575611  SOLV      839             0.0000000000
      2549       842  TIP3      H1              3.1090105888       10.7459020270        8.7798075611  SOLV      839             0.0000000000
      2550       842  TIP3      H2              2.9957905888        9.3204520270        8.2826675611  SOLV      839             0.0000000000
      2551       843  TIP3      OH2             4.2672805888       12.0619920270       10.9239575611  SOLV      840             0.0000000000
      2552       843  TIP3      H1              4.4806305888       11.2921520270       11.4512575611  SOLV      840             0.0000000000
      2553       843  TIP3      H2              5.0050405888       12.1516620270       10.3207175611  SOLV      840             0.0000000000
      2554       844  TIP3      OH2            12.0442505888       14.6078120270       13.6834775611  SOLV      841             0.0000000000
      2555       844  TIP3      H1             12.3480405888       13.9219520270       13.0888875611  SOLV      841             0.0000000000
      2556       844  TIP3      H2             12.7656505888       14.7266820270       14.3012775611  SOLV      841             0.0000000000
      2557       845  TIP3      OH2            15.1849505888        9.0020520270       14.0109575611  SOLV      842             0.0000000000
      2558       845  TIP3      H1             15.3275405888        8.0557520270       14.0311175611  SOLV      842             0.0000000000
      2559       845  TIP3      H2             15.0788505888        9.2090320270       13.0824475611  SOLV      842             0.0000000000
      2560       846  TIP3      OH2             8.3397805888        7.1036920270       11.2834375611  SOLV      843             0.0000000000
      2561       846  TIP3      H1              8.3828905888        7.9635420270       10.8650675611  SOLV      843             0.0000000000
      2562       846  TIP3      H2              7.8821905888        6.5511620270       10.6497575611  SOLV      843             0.0000000000
      2563       847  TIP3      OH2             4.9599305888        9.5002720270       12.0455775611  SOLV      844             0.0000000000
      2564       847  TIP3      H1              5.6135905888        8.9504420270       12.4775875611  SOLV      844             0.0000000000
      2565       847  TIP3      H2              4.9838605888        9.2261720270       11.1287775611  SOLV      844             0.0000000000
      2566       848  TIP3      OH2             7.1499705888        6.0215320270       15.3575175611  SOLV      845             0.0000000000
      2567       848  TIP3      H1              6.9311405888        6.5515920270       14.5911175611  SOLV      845             0.0000000000
      2568       848  TIP3      H2              6.4820605888        6.2480820270       16.0046575611  SOLV      845             0.0000000000
      2569       849  TIP3      OH2            14.5189505888       15.5216420270        8.9014275611  SOLV      846             0.0000000000
      2570       849  TIP3      H1             14.2234605888       15.1988720270        8.0501175611  SOLV      846             0.0000000000
      2571       849  TIP3      H2             14.1947305888       16.4213120270        8.9426875611  SOLV      846             0.0000000000
      2572       850  TIP3      OH2             9.7191105888       13.6971020270       15.6448875611  SOLV      847             0.0000000000
      2573       850  TIP3      H1              8.9790205888       14.2952520270       15.7484075611  SOLV      847             0.0000000000
      2574       850  TIP3      H2             10.4330605888       14.2510620270       15.3292475611  SOLV      847             0.0000000000
      2575       851  TIP3      OH2             6.7437005888        7.9137120270       13.3097375611  SOLV      848             0.0000000000
      2576       851  TIP3      H1              7.3573305888        8.5464720270       13.6829775611  SOLV      848             0.0000000000
      2577       851  TIP3      H2              7.2557705888        7.4412120270       12.6534275611  SOLV      848             0.0000000000
      2578       852  TIP3      OH2             4.2476305888       15.3321920270        7.2139675611  SOLV      849             0.0000000000
      2579       852  TIP3      H1              3.9757205888       15.5612920270        6.3252575611  SOLV      849             0.0000000000
      2580       852  TIP3      H2              4.2932005888       16.1700720270        7.6744975611  SOLV      849             0.0000000000
      2581       853  TIP3      OH2            11.1764405888        3.3270420270       12.8100075611  SOLV      850             0.0000000000
      2582       853  TIP3      H1             11.0588605888        2.3786420270       12.7558375611  SOLV      850             0.0000000000
      2583       853  TIP3      H2             10.3214505888        3.6596520270       13.0831175611  SOLV      850             0.0000000000
      2584       854  TIP3      OH2            13.4429305888       12.1646020270        7.3105875611  SOLV      851             0.0000000000
      2585       854  TIP3      H1             12.7314805888       12.6995720270        6.9586375611  SOLV      851             0.0000000000
      2586       854  TIP3      H2             14.1338905888       12.2198120270        6.6504775611  SOLV      851             0.0000000000
      2587       855  TIP3      OH2            13.4968505888       10.6220320270        4.3490875611  SOLV      852             0.0000000000
      2588       855  TIP3      H1             14.1978405888       10.6447220270        5.0004875611  SOLV      852             0.0000000000
      2589       855  TIP3      H2             13.7991405888        9.9940020270        3.6930175611  SOLV      852             0.0000000000
      2590       856  TIP3      OH2             8.4940705888       13.0045520270       10.1446775611  SOLV      853             0.0000000000
      2591       856  TIP3      H1              8.1635905888       12.6338920270        9.3263775611  SOLV      853             0.0000000000
      2592       856  TIP3      H2              9.0824805888       12.3339520270       10.4915075611  SOLV      853             0.0000000000
      2593       857  TIP3      OH2             8.8606205888       11.7731120270       13.7781775611  SOLV      854             0.0000000000
      2594       857  TIP3      H1              9.4258705888       11.8945320270       13.0152975611  SOLV      854             0.0000000000
      2595       857  TIP3      H2              9.1795105888       12.4106120270       14.4170275611  SOLV      854             0.0000000000
      2596       858  TIP3      OH2             7.4843405888       12.0739820270        7.7339575611  SOLV      855             0.0000000000
      2597       858  TIP3      H1              7.1924705888       12.8421520270        7.2430875611  SOLV      855             0.0000000000
      2598       858  TIP3      H2              6.8098605888       11.4146020270        7.5710975611  SOLV      855             0.0000000000
      2599       859  TIP3      OH2             8.4452005888        4.2304920270       13.5876375611  SOLV      856             0.0000000000
      2600       859  TIP3      H1              7.5835705888        4.1433120270       13.1799275611  SOLV      856             0.0000000000
      2601       859  TIP3      H2              8.4227705888        5.0865020270       14.0153975611  SOLV      856             0.0000000000
      2602       860  TIP3      OH2            12.7697105888        6.4448720270        4.2474175611  SOLV      857             0.0000000000
      2603       860  TIP3      H1             12.5161905888        6.4640320270        5.1702275611  SOLV      857             0.0000000000
      2604       860  TIP3      H2             12.5129205888        5.5734120270        3.9460375611  SOLV      857             0.0000000000
      2605       861  TIP3      OH2             8.5362105888        9.1959420270       14.6826575611  SOLV      858             0.0000000000
      2606       861  TIP3      H1              7.8944205888        9.1556720270       15.3916675611  SOLV      858             0.0000000000
      2607       861  TIP3      H2              8.5734105888       10.1224120270       14.4449575611  SOLV      858             0.0000000000
      2608       862  TIP3      OH2             8.5331205888        9.4169520270        9.5946575611  SOLV      859             0.0000000000
      2609       862  TIP3      H1              7.6404105888        9.0765620270        9.5360375611  SOLV      859             0.0000000000
      2610       862  TIP3      H2              8.9837805888        9.0400420270        8.8389775611  SOLV      859             0.0000000000
      2611       863  TIP3      OH2            14.0686705888        9.8329820270        8.4117375611  SOLV      860             0.0000000000
      2612       863  TIP3      H1             13.6597005888       10.6478420270        8.1202175611  SOLV      860             0.0000000000
      2613       863  TIP3      H2             14.7892905888        9.6929920270        7.7974475611  SOLV      860             0.0000000000
      2614       864  TIP3      OH2            15.0734405888        9.2790220270       11.2257075611  SOLV      861             0.0000000000
      2615       864  TIP3      H1             14.8778905888        9.8847020270       10.5107675611  SOLV      861             0.0000000000
      2616       864  TIP3      H2             15.2547005888        8.4455420270       10.7913375611  SOLV      861             0.0000000000
      2617       865  TIP3      OH2             9.6520005888        6.8905220270        3.3484575611  SOLV      862             0.0000000000
      2618       865  TIP3      H1              9.2210705888        6.4455320270        4.0781975611  SOLV      862             0.0000000000
      2619       865  TIP3      H2              8.9338705888        7.2621520270        2.8362075611  SOLV      862             0.0000000000
      2620       866  TIP3      OH2             2.8943405888        6.6324720270       10.4003275611  SOLV      863             0.0000000000
      2621       866  TIP3      H1              3.5251105888        6.6036820270       11.1197175611  SOLV      863             0.0000000000
      2622       866  TIP3      H2              3.3437705888        6.2073420270        9.6699175611  SOLV      863             0.0000000000
      2623       867  TIP3      OH2             4.1685505888        7.3786720270        5.8243675611  SOLV      864             0.0000000000
      2624       867  TIP3      H1              4.6427205888        7.9696620270        5.2394575611  SOLV      864             0.0000000000
      2625       867  TIP3      H2              3.4511905888        7.9089620270        6.1713775611  SOLV      864             0.0000000000
      2626       868  TIP3      OH2            14.3373605888       10.9171520270       15.8969475611  SOLV      865             0.0000000000
      2627       868  TIP3      H1             14.6608405888       10.2861220270       15.2539975611  SOLV      865             0.0000000000
      2628       868  TIP3      H2             13.8972905888       10.3823720270       16.5576875611  SOLV      865             0.0000000000
      2629       869  TIP3      OH2            11.1146505888        6.8447020270       10.6810675611  SOLV      866             0.0000000000
      2630       869  TIP3      H1             10.2037605888        6.9013820270       10.9696675611  SOLV      866             0.0000000000
      2631       869  TIP3      H2             11.6199405888        6.7842520270       11.4917875611  SOLV      866             0.0000000000
      2632       870  TIP3      OH2             5.9429905888        8.4733320270        9.5078275611  SOLV      867             0.0000000000
      2633       870  TIP3      H1              5.0537905888        8.5728820270        9.1677875611  SOLV      867             0.0000000000
      2634       870  TIP3      H2              6.2394805888        7.6316320270        9.1616175611  SOLV      867             0.0000000000
      2635       871  TIP3      OH2             9.5961705888        8.4735920270        7.1642875611  SOLV      868             0.0000000000
      2636       871  TIP3      H1             10.5277205888        8.6025920270        7.3425975611  SOLV      868             0.0000000000
      2637       871  TIP3      H2              9.3812005888        9.1430220270        6.5147575611  SOLV      868             0.0000000000
      2638       872  TIP3      OH2            15.5198405888        6.0793320270       13.9452475611  SOLV      869             0.0000000000
      2639       872  TIP3      H1             14.8430005888        6.2106420270       14.6092175611  SOLV      869             0.0000000000
      2640       872  TIP3      H2             15.0343305888        5.9242820270       13.1350175611  SOLV      869             0.0000000000
      2641       873  TIP3      OH2             8.2701905888        9.6678120270        4.7308975611  SOLV      870             0.0000000000
      2642       873  TIP3      H1              7.7277005888        9.2881920270        4.0396575611  SOLV      870             0.0000000000
      2643       873  TIP3      H2              9.1036805888        9.8622820270        4.3023075611  SOLV      870             0.0000000000
      2644       874  TIP3      OH2             7.4365905888        5.7686120270        8.9865075611  SOLV      871             0.0000000000
      2645       874  TIP3      H1              7.1195405888        4.8661420270        8.9510475611  SOLV      871             0.0000000000
      2646       874  TIP3      H2              8.2180005888        5.7703520270        8.4336675611  SOLV      871             0.0000000000
      2647       875  TIP3      OH2            11.0612105888        8.0206120270       14.9820675611  SOLV      872             0.0000000000
      2648       875  TIP3      H1             10.2257405888        8.4745620270       15.0923075611  SOLV      872             0.0000000000
      2649       875  TIP3      H2             11.5852705888        8.2964620270       15.7340575611  SOLV      872             0.0000000000
      2650       876  TIP3      OH2            11.6054705888       14.2333820270        6.6667075611  SOLV      873             0.0000000000
      2651       876  TIP3      H1             10.8605705888       13.7259120270        6.3444975611  SOLV      873             0.0000000000
      2652       876  TIP3      H2             11.4711905888       14.2821820270        7.6131875611  SOLV      873             0.0000000000
      2653       877  TIP3      OH2            15.5031505888        7.0473720270        4.8659675611  SOLV      874             0.0000000000
      2654       877  TIP3      H1             14.5645705888        7.1589320270        4.7148475611  SOLV      874             0.0000000000
      2655       877  TIP3      H2             15.8003605888        7.9040620270        5.1725375611  SOLV      874             0.0000000000
      2656       878  TIP3      OH2             6.7303005888       13.5283820270       12.4364975611  SOLV      875             0.0000000000
      2657       878  TIP3      H1              7.4750205888       13.5259520270       11.8351475611  SOLV      875             0.0000000000
      2658       878  TIP3      H2              6.8079605888       12.7047620270       12.9180075611  SOLV      875             0.0000000000
      2659       879  TIP3      OH2            13.7308805888       15.6918120270        5.6921675611  SOLV      876             0.0000000000
      2660       879  TIP3      H1             13.4357205888       16.5186020270        6.0736475611  SOLV      876             0.0000000000
      2661       879  TIP3      H2             13.0278805888       15.0725020270        5.8883075611  SOLV      876             0.0000000000
      2662       880  TIP3      OH2             4.8600105888       11.9086120270        4.4278875611  SOLV      877             0.0000000000
      2663       880  TIP3      H1              5.4760005888       12.5353320270        4.8073675611  SOLV      877             0.0000000000
      2664       880  TIP3      H2              3.9982705888       12.2245920270        4.6995375611  SOLV      877             0.0000000000
      2665       881  TIP3      OH2            10.5324705888       14.7091920270        9.4170775611  SOLV      878             0.0000000000
      2666       881  TIP3      H1             10.2914705888       15.6346320270        9.4586075611  SOLV      878             0.0000000000
      2667       881  TIP3      H2              9.7918305888       14.2503220270        9.8134675611  SOLV      878             0.0000000000
      2668       882  TIP3      OH2            14.5912105888       14.9576220270       15.4327475611  SOLV      879             0.0000000000
      2669       882  TIP3      H1             14.1653405888       14.7297920270       16.2591475611  SOLV      879             0.0000000000
      2670       882  TIP3      H2             15.1717905888       14.2188020270       15.2502775611  SOLV      879             0.0000000000
      2671       883  TIP3      OH2             6.2750505888       13.8209920270        5.9204475611  SOLV      880             0.0000000000
      2672       883  TIP3      H1              5.5889805888       14.1732420270        6.4874175611  SOLV      880             0.0000000000
      2673       883  TIP3      H2              6.7978405888       14.5839520270        5.6738775611  SOLV      880             0.0000000000
      2674       884  TIP3      OH2            14.8910505888        6.1355420270        7.2965775611  SOLV      881             0.0000000000
      2675       884  TIP3      H1             15.1108805888        6.6070820270        6.4931175611  SOLV      881             0.0000000000
      2676       884  TIP3      H2             15.4494505888        6.5298020270        7.9666375611  SOLV      881             0.0000000000
      2677       885  TIP3      OH2            12.0910405888        7.8634220270        8.1314175611  SOLV      882             0.0000000000
      2678       885  TIP3      H1             12.9033005888        8.3677420270        8.1775875611  SOLV      882             0.0000000000
      2679       885  TIP3      H2             11.8463405888        7.7183920270        9.0453775611  SOLV      882             0.0000000000
      2680       886  TIP3      OH2            12.9747105888        4.9447220270        9.0695275611  SOLV      883             0.0000000000
      2681       886  TIP3      H1             12.6280605888        5.5617820270        9.7139575611  SOLV      883             0.0000000000
      2682       886  TIP3      H2             13.6334005888        5.4452920270        8.5880775611  SOLV      883             0.0000000000
      2683       887  TIP3      OH2             8.6324105888        6.0076620270        5.7567775611  SOLV      884             0.0000000000
      2684       887  TIP3      H1              8.5488905888        6.8959720270        6.1034175611  SOLV      884             0.0000000000
      2685       887  TIP3      H2              9.5224405888        5.7423320270        5.9884575611  SOLV      884             0.0000000000
      2686       888  TIP3      OH2             5.2068605888        9.0991820270        3.9331675611  SOLV      885             0.0000000000
      2687       888  TIP3      H1              5.1621205888       10.0384920270        4.1118675611  SOLV      885             0.0000000000
      2688       888  TIP3      H2              4.3191805888        8.8636720270        3.6633775611  SOLV      885             0.0000000000
      2689       889  TIP3      OH2             6.0150605888        3.8808420270       12.6062675611  SOLV      886             0.0000000000
      2690       889  TIP3      H1              5.7860405888        3.9400920270       11.6787675611  SOLV      886             0.0000000000
      2691       889  TIP3      H2              5.5724005888        3.0893920270       12.9126775611  SOLV      886             0.0000000000
      2692       890  TIP3      OH2             8.4820805888       14.5879020270        3.1835375611  SOLV      887             0.0000000000
      2693       890  TIP3      H1              8.5464905888       13.7938620270        3.7141775611  SOLV      887             0.0000000000
      2694       890  TIP3      H2              9.1350005888       14.4691820270        2.4937375611  SOLV      887             0.0000000000
      2695       891  TIP3      OH2            13.8344205888       15.6350720270        2.9193375611  SOLV      888             0.0000000000
      2696       891  TIP3      H1             13.5658305888       15.8152820270        3.8202275611  SOLV      888             0.0000000000
      2697       891  TIP3      H2             13.6279805888       14.7096920270        2.7879175611  SOLV      888             0.0000000000
      2698       892  TIP3      OH2             9.6314605888       12.5605220270        5.4893375611  SOLV      889             0.0000000000
      2699       892  TIP3      H1              9.1716605888       12.0763520270        6.1751875611  SOLV      889             0.0000000000
      2700       892  TIP3      H2              9.8863305888       11.8920620270        4.8533875611  SOLV      889             0.0000000000
      2701       893  TIP3      OH2            10.7025005888       10.8037020270        3.7516575611  SOLV      890             0.0000000000
      2702       893  TIP3      H1             10.5220005888       10.6488220270        2.8244875611  SOLV      890             0.0000000000
      2703       893  TIP3      H2             11.6525505888       10.9115720270        3.7964475611  SOLV      890             0.0000000000
      2704       894  TIP3      OH2             3.7670905888       12.6795420270       13.5693275611  SOLV      891             0.0000000000
      2705       894  TIP3      H1              3.9513805888       12.5977120270       12.6336175611  SOLV      891             0.0000000000
      2706       894  TIP3      H2              4.6163805888       12.5552420270       13.9929675611  SOLV      891             0.0000000000
      2707       895  TIP3      OH2             4.5858205888        6.2622020270       12.6014975611  SOLV      892             0.0000000000
      2708       895  TIP3      H1              5.0309805888        5.4704520270       12.9034675611  SOLV      892             0.0000000000
      2709       895  TIP3      H2              5.0521205888        6.9787220270       13.0320575611  SOLV      892             0.0000000000
      2710       896  TIP3      OH2             2.8898505888        9.2615020270       13.6705175611  SOLV      893             0.0000000000
      2711       896  TIP3      H1              3.3818305888        9.0405520270       12.8797175611  SOLV      893             0.0000000000
      2712       896  TIP3      H2              3.2519405888       10.1018420270       13.9514675611  SOLV      893             0.0000000000
      2713       897  TIP3      OH2             3.2035005888        5.5194120270        7.7247575611  SOLV      894             0.0000000000
      2714       897  TIP3      H1              2.2783405888        5.7280720270        7.5953075611  SOLV      894             0.0000000000
      2715       897  TIP3      H2              3.6574905888        6.0034920270        7.0349875611  SOLV      894             0.0000000000
      2716       898  TIP3      OH2            13.3166705888        5.1303420270       12.0778175611  SOLV      895             0.0000000000
      2717       898  TIP3      H1             12.6423505888        4.5009020270       12.3333975611  SOLV      895             0.0000000000
      2718       898  TIP3      H2             13.8805905888        4.6462320270       11.4746075611  SOLV      895             0.0000000000
      2719       899  TIP3      OH2             5.6434205888        3.7643720270        9.8998075611  SOLV      896             0.0000000000
      2720       899  TIP3      H1              4.8664005888        3.5298620270        9.3923975611  SOLV      896             0.0000000000
      2721       899  TIP3      H2              6.1737805888        2.9675820270        9.9086075611  SOLV      896             0.0000000000
      2722       900  TIP3      OH2             4.4797605888        3.5621820270        5.7034175611  SOLV      897             0.0000000000
      2723       900  TIP3      H1              4.9188305888        4.1732320270        5.1117675611  SOLV      897             0.0000000000
      2724       900  TIP3      H2              3.8460005888        4.1005920270        6.1774175611  SOLV      897             0.0000000000
      2725       901  TIP3      OH2            10.2226805888        3.6910820270        9.7131175611  SOLV      898             0.0000000000
      2726       901  TIP3      H1             11.0970205888        4.0795120270        9.6835475611  SOLV      898             0.0000000000
      2727       901  TIP3      H2             10.0867605888        3.4758620270       10.6358375611  SOLV      898             0.0000000000
      2728       902  TIP3      OH2            15.7795205888        3.7210620270       11.3622875611  SOLV      899             0.0000000000
      2729       902  TIP3      H1             15.8556805888        3.8162220270       10.4128875611  SOLV      899             0.0000000000
      2730       902  TIP3      H2             15.5044405888        2.8133520270       11.4911975611  SOLV      899             0.0000000000
      2731       903  TIP3      OH2             6.3406705888        5.4783320270        4.1458275611  SOLV      900             0.0000000000
      2732       903  TIP3      H1              6.8320105888        4.8485720270        3.6183775611  SOLV      900             0.0000000000
      2733       903  TIP3      H2              6.9643005888        5.7742720270        4.8089475611  SOLV      900             0.0000000000
      2734       904  TIP3      OH2            11.3666805888        5.7714820270        6.6028775611  SOLV      901             0.0000000000
      2735       904  TIP3      H1             11.5448105888        5.1248020270        7.2857375611  SOLV      901             0.0000000000
      2736       904  TIP3      H2             11.3133005888        6.6052520270        7.0699875611  SOLV      901             0.0000000000
      2737       905  POT       POT            -6.0679000000       13.0088000000       -6.4225000000  POT       1               0.0000000000
      2738       906  POT       POT            -5.5422100000      -10.1676000000       -0.6098240000  POT       2               0.0000000000
      2739       907  POT       POT           -15.3547000000       -7.6718100000       -2.9529900000  POT       3               0.0000000000
      2740       908  POT       POT            12.0711000000       14.5574000000       -7.5697300000  POT       4               0.0000000000
      2741       909  POT       POT           -14.5424000000       -9.6491800000      -10.7776000000  POT       5               0.0000000000
      2742       910  POT       POT             6.4314600000       -9.5515500000       15.8946000000  POT       6               0.0000000000
      2743       911  POT       POT            10.4820000000        2.6364500000        2.6841000000  POT       7               0.0000000000
      2744       912  POT       POT             6.4108200000        0.9127040000        5.7177300000  POT       8               0.0000000000
      2745       913  POT       POT             9.0220800000       15.8994000000       13.8097000000  POT       9               0.0000000000
      2746       914  POT       POT            14.5696000000       15.4174000000       -2.6206700000  POT       10              0.0000000000
      2747       915  POT       POT            -5.6132800000        6.4640300000      -13.4754000000  POT       11              0.0000000000
      2748       916  POT       POT            -3.1069100000       -9.2330200000        4.1024600000  POT       12              0.0000000000
      2749       917  POT       POT            15.9429000000      -15.6407000000      -11.9379000000  POT       13              0.0000000000
      2750       918  POT       POT            -7.5369000000       12.3823000000       -0.9509760000  POT       14              0.0000000000
      2751       919  POT       POT            -1.2587200000       15.9551000000       13.9781000000  POT       15              0.0000000000
      2752       920  POT       POT             1.1295000000      -14.6176000000        5.4440300000  POT       16              0.0000000000
      2753       921  POT       POT            -4.7489300000        9.7287400000       12.5599000000  POT       17              0.0000000000
      2754       922  POT       POT            15.7965000000        8.8336600000       -4.2141800000  POT       18              0.0000000000
      2755       923  POT       POT             0.6048640000       -0.4340800000      -15.7827000000  POT       19              0.0000000000
      2756       924  POT       POT           -14.9848000000       11.3501000000        6.7608000000  POT       20              0.0000000000
      2757       925  CLA       CLA             6.3304600000      -11.2259000000        4.4630400000  CLA       1               0.0000000000
      2758       926  CLA       CLA             7.2001900000        3.0626200000      -15.9904000000  CLA       2               0.0000000000
      2759       927  CLA       CLA            -8.6306200000      -14.2210000000       13.6956000000  CLA       3               0.0000000000
      2760       928  CLA       CLA            -5.7203800000        2.6347800000       11.9833000000  CLA       4               0.0000000000
      2761       929  CLA       CLA             1.1785000000      -14.5231000000       -0.8856960000  CLA       5               0.0000000000
      2762       930  CLA       CLA           -14.7339000000       15.3296000000        0.9195840000  CLA       6               0.0000000000
      2763       931  CLA       CLA            12.4140000000      -13.4606000000       -4.8198700000  CLA       7               0.0000000000
      2764       932  CLA       CLA            -5.8938200000       13.9777000000      -11.6763000000  CLA       8               0.0000000000
      2765       933  CLA       CLA            11.0834000000       11.1639000000       11.6553000000  CLA       9               0.0000000000
      2766       934  CLA       CLA            -5.3338600000        6.9509400000       -5.9730600000  CLA       10              0.0000000000
      2767       935  CLA       CLA            -9.9917100000      -10.8020000000      -15.9646000000  CLA       11              0.0000000000
      2768       936  CLA       CLA            -0.4526400000        9.0046400000      -15.0487000000  CLA       12              0.0000000000
      2769       937  CLA       CLA           -13.0530000000       -1.9791400000       -9.2941800000  CLA       13              0.0000000000
      2770       938  CLA       CLA            -8.2158700000       -9.4416300000       -9.9157400000  CLA       14              0.0000000000
      2771       939  CLA       CLA             0.5811520000        7.3945600000        4.6948800000  CLA       15              0.0000000000
      2772       940  CLA       CLA            12.1301000000       -7.5740800000       14.4683000000  CLA       16              0.0000000000
      2773       941  CLA       CLA            11.5187000000        8.5252200000       -0.5964480000  CLA       17              0.0000000000
      2774       942  CLA       CLA            -2.3049000000       -7.7817600000       -9.3384600000  CLA       18              0.0000000000
      2775       943  CLA       CLA            -5.6430700000       -5.7263700000        1.8246400000  CLA       19              0.0000000000
      2776       944  CLA       CLA            -7.5434900000      -15.4529000000        4.8342400000  CLA       20              0.0000000000